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14018-90-7,MFCD03427114
Catalog No.:AA003TMX

14018-90-7 | Phenylguanidine carbonate salt

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
97%
in stock  
$6.00   $4.00
- +
10g
97%
in stock  
$8.00   $5.00
- +
100g
97%
in stock  
$72.00   $50.00
- +
500g
97%
in stock  
$168.00   $117.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003TMX
Chemical Name:
Phenylguanidine carbonate salt
CAS Number:
14018-90-7
Molecular Formula:
C8H11N3O3
Molecular Weight:
197.1912
MDL Number:
MFCD03427114
SMILES:
NC(=N)Nc1ccccc1.OC(=O)O
NSC Number:
8170
Properties
Properties
 
BP:
428.8°C at 760 mmHg  
Form:
Solid  
MP:
149-153 °C  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
147  
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  

Downstream Synthesis Route

[1]CurrentPatentAssignee:MERCKKGAA-US2010/292262,2010,A1Locationinpatent:Page/Pagecolumn12

[1]CurrentPatentAssignee:MERCKKGAA-US2011/92527,2011,A1Locationinpatent:Page/Pagecolumn11

14018-90-7   
methyl(1‘S,4a’S,8a’S)-1‘-methyl-5‘-oxo-4a’-phenyloctahydro-1‘H-spiro1,3-dioxolane-2,2’-naphthalene-6’-carboxylate 
 
(6aS,7S,10aS)-2-anilino-7-methyl-10a-phenyl-5,6a,7,9,10,10a-hexahydro-6H-spirobenzohquinazoline-8,2’-1,3dioxolan-4-ol 

[1]CurrentPatentAssignee:REATAPHARMACEUTICALS,INC.-WO2015/112792,2015,A1Locationinpatent:Page/Pagecolumn142

14018-90-7   
rac-(1′S,4a′S,6′Z,8a′S)-6′-(hydroxymethylene)-1′-methyl-4a′-phenylhexahydro-1′H-spiro1,3-dioxolane-2,2′-naphthalen-5′(3′H)-one 
 
rac-(6aS,7S)-7-methyl-N,10a-diphenyl-5,6a,7,9,10,10a-hexahydro-6H-spirobenzohquinazoline-8,2’-1,3dioxolan-2-amine 

[1]CurrentPatentAssignee:REATAPHARMACEUTICALS,INC.-WO2015/112792,2015,A1Locationinpatent:Page/Pagecolumn131

14018-90-7    292638-85-8    109-77-3   
4-amino-2-(phenylamino)-5,6-dihydropyrido2,3-dpyrimidin-7(8H)-one 

[1]Batllori,Xavier;Borrell,JoséI.;DeRocafiguera,Claudi;Font-Bardia,Mercè;Galve,Iñaki;Ondoño,Raül;PuigDeLaBellacasa,Raimon;Puigjaner,Cristina;Teixidó,Jordi;Vallcorba,Oriol[OrganicandBiomolecularChemistry,2020,vol.18,#48,p.9810-9815]

Literature
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SDS
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Tags:14018-90-7 Molecular Formula|14018-90-7 MDL|14018-90-7 SMILES|14018-90-7 Phenylguanidine carbonate salt
Catalog No.: AA003TMX
14018-90-7,MFCD03427114
14018-90-7 | Phenylguanidine carbonate salt
Pack Size： 5g
Purity： 97%
in stock
$6.00 $4.00
Pack Size： 10g
Purity： 97%
in stock
$8.00 $5.00
Pack Size： 100g
Purity： 97%
in stock
$72.00 $50.00
Pack Size： 500g
Purity： 97%
in stock
$168.00 $117.00
Quantity
- +
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bulk Quotation Request
Technical Information
Catalog Number: AA003TMX
Chemical Name: Phenylguanidine carbonate salt
CAS Number: 14018-90-7
Molecular Formula: C8H11N3O3
Molecular Weight: 197.1912
MDL Number: MFCD03427114
SMILES: NC(=N)Nc1ccccc1.OC(=O)O
NSC Number: 8170
Properties
BP: 428.8°C at 760 mmHg  
Form: Solid  
MP: 149-153 °C  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 147  
Covalently-Bonded Unit Count: 2  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 4  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
Downstream Synthesis Route
1174038-61-9    14018-90-7    1174038-47-1 

[1]CurrentPatentAssignee:MERCKKGAA-US2010/292262,2010,A1Locationinpatent:Page/Pagecolumn12

14018-90-7    1050373-52-8    1050372-86-5 

[1]CurrentPatentAssignee:MERCKKGAA-US2011/92527,2011,A1Locationinpatent:Page/Pagecolumn11

14018-90-7   
methyl(1‘S,4a’S,8a’S)-1‘-methyl-5‘-oxo-4a’-phenyloctahydro-1‘H-spiro1,3-dioxolane-2,2’-naphthalene-6’-carboxylate 
 
(6aS,7S,10aS)-2-anilino-7-methyl-10a-phenyl-5,6a,7,9,10,10a-hexahydro-6H-spirobenzohquinazoline-8,2’-1,3dioxolan-4-ol 

[1]CurrentPatentAssignee:REATAPHARMACEUTICALS,INC.-WO2015/112792,2015,A1Locationinpatent:Page/Pagecolumn142

14018-90-7   
rac-(1′S,4a′S,6′Z,8a′S)-6′-(hydroxymethylene)-1′-methyl-4a′-phenylhexahydro-1′H-spiro1,3-dioxolane-2,2′-naphthalen-5′(3′H)-one 
 
rac-(6aS,7S)-7-methyl-N,10a-diphenyl-5,6a,7,9,10,10a-hexahydro-6H-spirobenzohquinazoline-8,2’-1,3dioxolan-2-amine 

[1]CurrentPatentAssignee:REATAPHARMACEUTICALS,INC.-WO2015/112792,2015,A1Locationinpatent:Page/Pagecolumn131

14018-90-7    292638-85-8    109-77-3   
4-amino-2-(phenylamino)-5,6-dihydropyrido2,3-dpyrimidin-7(8H)-one 

[1]Batllori,Xavier;Borrell,JoséI.;DeRocafiguera,Claudi;Font-Bardia,Mercè;Galve,Iñaki;Ondoño,Raül;PuigDeLaBellacasa,Raimon;Puigjaner,Cristina;Teixidó,Jordi;Vallcorba,Oriol[OrganicandBiomolecularChemistry,2020,vol.18,#48,p.9810-9815]

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