645-92-1,MFCD00023186
Catalog No.:AA003NRD

645-92-1 | Ammeline

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$75.00   $53.00
- +
5g
>95.0%(N)
in stock  
$125.00   $88.00
- +
25g
>95.0%(N)
in stock  
$374.00   $262.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003NRD
Chemical Name:
Ammeline
CAS Number:
645-92-1
Molecular Formula:
C3H5N5O
Molecular Weight:
127.1047
MDL Number:
MFCD00023186
SMILES:
Nc1nc(N)nc(n1)O
NSC Number:
9778
Properties
Properties
 
BP:
455.2°C at 760 mmHg  
Form:
Solid  
MP:
>300?C (dec.)  
Refractive Index:
1.8000 (estimate)  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
204  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-1.8  

Downstream Synthesis Route
1912-24-9    645-92-1    2163-68-0   
4-Acetamido-2-chloro-6-ethylamino-s-triazine 
 
4-Acetamido-2-chloro-6-isopropylamino-s-triazine 

[1]EnvironmentalScienceandTechnology,1997,vol.31,p.1476-1482

6-chloro-2.4-diimino-tetrahydro-1.3.5-triazine 
  504-08-5    645-92-1 

[1]ChemischeBerichte,1899,vol.32,p.694,1219

1934-75-4    108-78-1   
C4H5N7 
 
C4H8N8 
 
C9H12N16 
 
C12H15N21 
  1502-47-2    3576-88-3    90030-88-9    645-92-1    4719-03-3 

[1]Locationinpatent:experimentalpartChingin,Konstantin;Perry,RichardH.;Chambreau,StevenD.;Vaghjiani,GhanshyamL.;Zare,RichardN.[AngewandteChemie-InternationalEdition,2011,vol.50,#37,p.8634-8637]

1-ethyl-3-methylimidazoliumdicyanamide 
  108-78-1   
C4H5N7 
 
C5H7N9 
 
C9H12N16 
 
C12H15N21 
  1502-47-2    3576-88-3    90030-88-9    645-92-1    4719-03-3 

[1]Locationinpatent:experimentalpartChingin,Konstantin;Perry,RichardH.;Chambreau,StevenD.;Vaghjiani,GhanshyamL.;Zare,RichardN.[AngewandteChemie-InternationalEdition,2011,vol.50,#37,p.8634-8637]

448245-52-1    108-78-1   
C4H5N7 
 
C4H8N8 
 
C9H12N16 
 
C12H15N21 
  1502-47-2    3576-88-3    90030-88-9    645-92-1    4719-03-3 

[1]Locationinpatent:experimentalpartChingin,Konstantin;Perry,RichardH.;Chambreau,StevenD.;Vaghjiani,GhanshyamL.;Zare,RichardN.[AngewandteChemie-InternationalEdition,2011,vol.50,#37,p.8634-8637]

Literature

Title: Detection of melamine in infant formula and grain powder by surface-assisted laser desorption/ionization mass spectrometry.

Journal: Rapid communications in mass spectrometry : RCM 20120630

Title: Biodegradation of melamine and its hydroxy derivatives by a bacterial consortium containing a novel Nocardioides species.

Journal: Applied microbiology and biotechnology 20120601

Title: Development of a hydrophilic interaction liquid chromatography-mass spectrometry method for detection and quantification of urea thermal decomposition by-products in emission from diesel engine employing selective catalytic reduction technology.

Journal: Journal of chromatography. A 20120316

Title: Comparison of three methods for detection of melamine in compost and soil.

Journal: The Science of the total environment 20120215

Title: Mineralization of desmetryne by electrochemical advanced oxidation processes using a boron-doped diamond anode and an oxygen-diffusion cathode.

Journal: Chemosphere 20111101

Title: Fast quantitative determination of melamine and its derivatives by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry.

Journal: Rapid communications in mass spectrometry : RCM 20111015

Title: Atrazine and breast cancer: a framework assessment of the toxicological and epidemiological evidence.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20111001

Title: Urinary biomarkers of prenatal atrazine exposure and adverse birth outcomes in the PELAGIE birth cohort.

Journal: Environmental health perspectives 20110701

Title: Determination of melamine, ammeline, ammelide and cyanuric acid in infant formula purchased in Canada by liquid chromatography-tandem mass spectrometry.

Journal: Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment 20110601

Title: In vitro study of DNA interaction with melamine and its related compounds.

Journal: DNA and cell biology 20110401

Title: Increased nephrotoxicity after combined administration of melamine and cyanuric Acid in rats.

Journal: Laboratory animal research 20110301

Title: Migration of melamine from can coatings cross-linked with melamine-based resins, into food simulants and foods.

Journal: Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment 20110201

Title: Single-run separation of closely related cationic and anionic compounds by CE-ESI-MS: application to the simultaneous analysis of melamine and its analogs in milk.

Journal: Chimia 20110101

Title: Development of a high performance liquid chromatography method and a liquid chromatography-tandem mass spectrometry method with pressurized liquid extraction for simultaneous quantification and confirmation of cyromazine, melamine and its metabolites in foods of animal origin.

Journal: Analytica chimica acta 20101203

Title: Highly sensitive detection of melamine and its derivatives by capillary electrophoresis coupled with online preconcentration techniques.

Journal: Electrophoresis 20101201

Title: Discovery and SAR of a series of 4,6-diamino-1,3,5-triazin-2-ol as novel non-nucleoside reverse transcriptase inhibitors of HIV-1.

Journal: Bioorganic & medicinal chemistry letters 20101115

Title: Determination of melamine and its analogues in egg by gas chromatography-tandem mass spectrometry using an isotope dilution technique.

Journal: Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment 20101101

Title: Simultaneous determination of melamine and related compounds by hydrophilic interaction liquid chromatography-electrospray mass spectrometry.

Journal: Journal of separation science 20100901

Title: Preparation of monoclonal antibody for melamine and development of an indirect competitive ELISA for melamine detection in raw milk, milk powder, and animal feeds.

Journal: Journal of agricultural and food chemistry 20100728

Title: Enzyme-linked immunosorbent assay detection of melamine in infant formula and wheat food products.

Journal: Journal of food protection 20100401

Title: Methods for the analysis of melamine and related compounds in foods: a review.

Journal: Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment 20100201

Title: Risks associated with melamine and related triazine contamination of food.

Journal: Emerging health threats journal 20100101

Title: Melamine acoustic chemosensor based on molecularly imprinted polymer film.

Journal: Analytical chemistry 20091215

Title: Acid dissociation constants of melamine derivatives from density functional theory calculations.

Journal: The journal of physical chemistry. A 20091119

Title: Melamine contamination.

Journal: Analytical and bioanalytical chemistry 20091001

Title: Abstracts of the 2008 ISSOL Meeting. August 24-29, 2008. Florence, Italy.

Journal: Origins of life and evolution of the biosphere : the journal of the International Society for the Study of the Origin of Life 20090801

Title: Nephrotoxicosis in Iberian piglets subsequent to exposure to melamine and derivatives in Spain between 2003 and 2006.

Journal: Journal of veterinary diagnostic investigation : official publication of the American Association of Veterinary Laboratory Diagnosticians, Inc 20090701

Title: Toxicological risk of melamine and cyanuric acid in food and feed.

Journal: Interdisciplinary toxicology 20090601

Title: Simultaneous determination of melamine, ammelide, ammeline, and cyanuric acid in milk and milk products by gas chromatography-tandem mass spectrometry.

Journal: Biomedical and environmental sciences : BES 20090401

Title: A survey on occurrence of melamine and its analogues in tainted infant formula in China.

Journal: Biomedical and environmental sciences : BES 20090401

Title: Synthesis of pyrimidines and triazines in ice: implications for the prebiotic chemistry of nucleobases.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20090101

Title: Identification and characterization of toxicity of contaminants in pet food leading to an outbreak of renal toxicity in cats and dogs.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20081101

Title: Method development and validation for melamine and its derivatives in rice concentrates by liquid chromatography. Application to animal feed samples.

Journal: Analytical and bioanalytical chemistry 20081001

Title: Diagnostic determination of melamine and related compounds in kidney tissue by liquid chromatography/tandem mass spectrometry.

Journal: Journal of agricultural and food chemistry 20080910

Title: Abstracts of papers presented at the 2008 pittsburgh conference.

Journal: Journal of automated methods & management in chemistry 20080101

Title: High-performance liquid chromatographic method for the simultaneous detection of the adulteration of cereal flours with melamine and related triazine by-products ammeline, ammelide, and cyanuric acid.

Journal: Food additives and contaminants 20071201

Title: Abiotic dealkylation and hydrolysis of atrazine by birnessite.

Journal: Environmental toxicology and chemistry 20050601

Title: Degradation of atrazine in a laboratory scale model system with Danube river sediment.

Journal: Water research 20050401

Title: Klebsiella planticola strain DSZ mineralizes simazine: physiological adaptations involved in the process.

Journal: Applied microbiology and biotechnology 20050201

Title: Treatment of atrazine by integrating photocatalytic and biological processes.

Journal: Environmental pollution (Barking, Essex : 1987) 20040901

Title: Atrazine degradation by anodic Fenton treatment.

Journal: Water research 20021201

Title: Sonolytic, photolytic, and photocatalytic decomposition of atrazine in the presence of polyoxometalates.

Journal: Environmental science & technology 20010601

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Related Products of 645-92-1
Tags:645-92-1 Molecular Formula|645-92-1 MDL|645-92-1 SMILES|645-92-1 Ammeline
Catalog No.: AA003NRD
645-92-1,MFCD00023186
645-92-1 | Ammeline
Pack Size: 1g
Purity: 95%
in stock
$75.00 $53.00
Pack Size: 5g
Purity: >95.0%(N)
in stock
$125.00 $88.00
Pack Size: 25g
Purity: >95.0%(N)
in stock
$374.00 $262.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA003NRD
Chemical Name: Ammeline
CAS Number: 645-92-1
Molecular Formula: C3H5N5O
Molecular Weight: 127.1047
MDL Number: MFCD00023186
SMILES: Nc1nc(N)nc(n1)O
NSC Number: 9778
Properties
BP: 455.2°C at 760 mmHg  
Form: Solid  
MP: >300?C (dec.)  
Refractive Index: 1.8000 (estimate)  
Storage: Inert atmosphere;2-8℃;  
Complexity: 204  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 3  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: -1.8  
Downstream Synthesis Route
1912-24-9    645-92-1    2163-68-0   
4-Acetamido-2-chloro-6-ethylamino-s-triazine 
 
4-Acetamido-2-chloro-6-isopropylamino-s-triazine 

[1]EnvironmentalScienceandTechnology,1997,vol.31,p.1476-1482

6-chloro-2.4-diimino-tetrahydro-1.3.5-triazine 
  504-08-5    645-92-1 

[1]ChemischeBerichte,1899,vol.32,p.694,1219

1934-75-4    108-78-1   
C4H5N7 
 
C4H8N8 
 
C9H12N16 
 
C12H15N21 
  1502-47-2    3576-88-3    90030-88-9    645-92-1    4719-03-3 

[1]Locationinpatent:experimentalpartChingin,Konstantin;Perry,RichardH.;Chambreau,StevenD.;Vaghjiani,GhanshyamL.;Zare,RichardN.[AngewandteChemie-InternationalEdition,2011,vol.50,#37,p.8634-8637]

1-ethyl-3-methylimidazoliumdicyanamide 
  108-78-1   
C4H5N7 
 
C5H7N9 
 
C9H12N16 
 
C12H15N21 
  1502-47-2    3576-88-3    90030-88-9    645-92-1    4719-03-3 

[1]Locationinpatent:experimentalpartChingin,Konstantin;Perry,RichardH.;Chambreau,StevenD.;Vaghjiani,GhanshyamL.;Zare,RichardN.[AngewandteChemie-InternationalEdition,2011,vol.50,#37,p.8634-8637]

448245-52-1    108-78-1   
C4H5N7 
 
C4H8N8 
 
C9H12N16 
 
C12H15N21 
  1502-47-2    3576-88-3    90030-88-9    645-92-1    4719-03-3 

[1]Locationinpatent:experimentalpartChingin,Konstantin;Perry,RichardH.;Chambreau,StevenD.;Vaghjiani,GhanshyamL.;Zare,RichardN.[AngewandteChemie-InternationalEdition,2011,vol.50,#37,p.8634-8637]

Literature fold

Title: Detection of melamine in infant formula and grain powder by surface-assisted laser desorption/ionization mass spectrometry.

Journal: Rapid communications in mass spectrometry : RCM20120630

Title: Biodegradation of melamine and its hydroxy derivatives by a bacterial consortium containing a novel Nocardioides species.

Journal: Applied microbiology and biotechnology20120601

Title: Development of a hydrophilic interaction liquid chromatography-mass spectrometry method for detection and quantification of urea thermal decomposition by-products in emission from diesel engine employing selective catalytic reduction technology.

Journal: Journal of chromatography. A20120316

Title: Comparison of three methods for detection of melamine in compost and soil.

Journal: The Science of the total environment20120215

Title: Mineralization of desmetryne by electrochemical advanced oxidation processes using a boron-doped diamond anode and an oxygen-diffusion cathode.

Journal: Chemosphere20111101

Title: Fast quantitative determination of melamine and its derivatives by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry.

Journal: Rapid communications in mass spectrometry : RCM20111015

Title: Atrazine and breast cancer: a framework assessment of the toxicological and epidemiological evidence.

Journal: Toxicological sciences : an official journal of the Society of Toxicology20111001

Title: Urinary biomarkers of prenatal atrazine exposure and adverse birth outcomes in the PELAGIE birth cohort.

Journal: Environmental health perspectives20110701

Title: Determination of melamine, ammeline, ammelide and cyanuric acid in infant formula purchased in Canada by liquid chromatography-tandem mass spectrometry.

Journal: Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment20110601

Title: In vitro study of DNA interaction with melamine and its related compounds.

Journal: DNA and cell biology20110401

Title: Increased nephrotoxicity after combined administration of melamine and cyanuric Acid in rats.

Journal: Laboratory animal research20110301

Title: Migration of melamine from can coatings cross-linked with melamine-based resins, into food simulants and foods.

Journal: Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment20110201

Title: Single-run separation of closely related cationic and anionic compounds by CE-ESI-MS: application to the simultaneous analysis of melamine and its analogs in milk.

Journal: Chimia20110101

Title: Development of a high performance liquid chromatography method and a liquid chromatography-tandem mass spectrometry method with pressurized liquid extraction for simultaneous quantification and confirmation of cyromazine, melamine and its metabolites in foods of animal origin.

Journal: Analytica chimica acta20101203

Title: Highly sensitive detection of melamine and its derivatives by capillary electrophoresis coupled with online preconcentration techniques.

Journal: Electrophoresis20101201

Title: Discovery and SAR of a series of 4,6-diamino-1,3,5-triazin-2-ol as novel non-nucleoside reverse transcriptase inhibitors of HIV-1.

Journal: Bioorganic & medicinal chemistry letters20101115

Title: Determination of melamine and its analogues in egg by gas chromatography-tandem mass spectrometry using an isotope dilution technique.

Journal: Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment20101101

Title: Simultaneous determination of melamine and related compounds by hydrophilic interaction liquid chromatography-electrospray mass spectrometry.

Journal: Journal of separation science20100901

Title: Preparation of monoclonal antibody for melamine and development of an indirect competitive ELISA for melamine detection in raw milk, milk powder, and animal feeds.

Journal: Journal of agricultural and food chemistry20100728

Title: Enzyme-linked immunosorbent assay detection of melamine in infant formula and wheat food products.

Journal: Journal of food protection20100401

Title: Methods for the analysis of melamine and related compounds in foods: a review.

Journal: Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment20100201

Title: Risks associated with melamine and related triazine contamination of food.

Journal: Emerging health threats journal20100101

Title: Melamine acoustic chemosensor based on molecularly imprinted polymer film.

Journal: Analytical chemistry20091215

Title: Acid dissociation constants of melamine derivatives from density functional theory calculations.

Journal: The journal of physical chemistry. A20091119

Title: Melamine contamination.

Journal: Analytical and bioanalytical chemistry20091001

Title: Abstracts of the 2008 ISSOL Meeting. August 24-29, 2008. Florence, Italy.

Journal: Origins of life and evolution of the biosphere : the journal of the International Society for the Study of the Origin of Life20090801

Title: Nephrotoxicosis in Iberian piglets subsequent to exposure to melamine and derivatives in Spain between 2003 and 2006.

Journal: Journal of veterinary diagnostic investigation : official publication of the American Association of Veterinary Laboratory Diagnosticians, Inc20090701

Title: Toxicological risk of melamine and cyanuric acid in food and feed.

Journal: Interdisciplinary toxicology20090601

Title: Simultaneous determination of melamine, ammelide, ammeline, and cyanuric acid in milk and milk products by gas chromatography-tandem mass spectrometry.

Journal: Biomedical and environmental sciences : BES20090401

Title: A survey on occurrence of melamine and its analogues in tainted infant formula in China.

Journal: Biomedical and environmental sciences : BES20090401

Title: Synthesis of pyrimidines and triazines in ice: implications for the prebiotic chemistry of nucleobases.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany)20090101

Title: Identification and characterization of toxicity of contaminants in pet food leading to an outbreak of renal toxicity in cats and dogs.

Journal: Toxicological sciences : an official journal of the Society of Toxicology20081101

Title: Method development and validation for melamine and its derivatives in rice concentrates by liquid chromatography. Application to animal feed samples.

Journal: Analytical and bioanalytical chemistry20081001

Title: Diagnostic determination of melamine and related compounds in kidney tissue by liquid chromatography/tandem mass spectrometry.

Journal: Journal of agricultural and food chemistry20080910

Title: Abstracts of papers presented at the 2008 pittsburgh conference.

Journal: Journal of automated methods & management in chemistry20080101

Title: High-performance liquid chromatographic method for the simultaneous detection of the adulteration of cereal flours with melamine and related triazine by-products ammeline, ammelide, and cyanuric acid.

Journal: Food additives and contaminants20071201

Title: Abiotic dealkylation and hydrolysis of atrazine by birnessite.

Journal: Environmental toxicology and chemistry20050601

Title: Degradation of atrazine in a laboratory scale model system with Danube river sediment.

Journal: Water research20050401

Title: Klebsiella planticola strain DSZ mineralizes simazine: physiological adaptations involved in the process.

Journal: Applied microbiology and biotechnology20050201

Title: Treatment of atrazine by integrating photocatalytic and biological processes.

Journal: Environmental pollution (Barking, Essex : 1987)20040901

Title: Atrazine degradation by anodic Fenton treatment.

Journal: Water research20021201

Title: Sonolytic, photolytic, and photocatalytic decomposition of atrazine in the presence of polyoxometalates.

Journal: Environmental science & technology20010601

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