518064-16-9,MFCD03129280
Catalog No.:AA00DCV0

518064-16-9 | [(3,5-Dimethyl-1h-pyrazol-4-yl)methyl]amine dihydrochloride

Pack Size
Purity
Availability
Price(USD)
Quantity
  
500mg
>95%
2 weeks  
$837.00   $586.00
- +
1g
>95%
2 weeks  
$939.00   $658.00
- +
5g
>95%
2 weeks  
$1,960.00   $1,372.00
- +
10g
>95%
2 weeks  
$2,674.00   $1,872.00
- +
25g
>95%
2 weeks  
$4,511.00   $3,158.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DCV0
Chemical Name:
[(3,5-Dimethyl-1h-pyrazol-4-yl)methyl]amine dihydrochloride
CAS Number:
518064-16-9
Molecular Formula:
C6H11N3
Molecular Weight:
125.1716
MDL Number:
MFCD03129280
SMILES:
NCc1c(C)n[nH]c1C
Properties
Properties
 
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
94.3  
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:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-0.1  

Downstream Synthesis Route
1513-87-7    518064-16-9   
C9H12F3N3O2 

[1]Bogolubsky,AndreyV.;Moroz,YuriiS.;Mykhailiuk,PavelK.;Granat,DmitryS.;Pipko,SergeyE.;Konovets,AnzhelikaI.;Doroschuk,Roman;Tolmachev,Andrey[ACSCombinatorialScience,2014,vol.16,#6,p.303-308]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Quotation Request
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Additional Info:
SDS
Tags:518064-16-9 Molecular Formula|518064-16-9 MDL|518064-16-9 SMILES|518064-16-9 [(3,5-Dimethyl-1h-pyrazol-4-yl)methyl]amine dihydrochloride
Catalog No.: AA00DCV0
518064-16-9,MFCD03129280
518064-16-9 | [(3,5-Dimethyl-1h-pyrazol-4-yl)methyl]amine dihydrochloride
Pack Size: 500mg
Purity: >95%
2 weeks
$837.00 $586.00
Pack Size: 1g
Purity: >95%
2 weeks
$939.00 $658.00
Pack Size: 5g
Purity: >95%
2 weeks
$1,960.00 $1,372.00
Pack Size: 10g
Purity: >95%
2 weeks
$2,674.00 $1,872.00
Pack Size: 25g
Purity: >95%
2 weeks
$4,511.00 $3,158.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00DCV0
Chemical Name: [(3,5-Dimethyl-1h-pyrazol-4-yl)methyl]amine dihydrochloride
CAS Number: 518064-16-9
Molecular Formula: C6H11N3
Molecular Weight: 125.1716
MDL Number: MFCD03129280
SMILES: NCc1c(C)n[nH]c1C
Properties
Storage: Keep in dry area;2-8℃;  
Complexity: 94.3  
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: 2  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: -0.1  
Downstream Synthesis Route
1513-87-7    518064-16-9   
C9H12F3N3O2 

[1]Bogolubsky,AndreyV.;Moroz,YuriiS.;Mykhailiuk,PavelK.;Granat,DmitryS.;Pipko,SergeyE.;Konovets,AnzhelikaI.;Doroschuk,Roman;Tolmachev,Andrey[ACSCombinatorialScience,2014,vol.16,#6,p.303-308]

Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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