Home Nitriles 2-amino-1-methyl-1H-1,3-benzodiazole-4-carbonitrile

2-amino-1-methyl-1H-1,3-benzodiazole-4-carbonitrile

CAS No.:
1379336-58-9
Catalog Number:
AG01ABZJ
Molecular Formula:
C9H8N4
Molecular Weight:
172.1866
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Product Description
Catalog Number:
AG01ABZJ
Chemical Name:
2-amino-1-methyl-1H-1,3-benzodiazole-4-carbonitrile
CAS Number:
1379336-58-9
Molecular Formula:
C9H8N4
Molecular Weight:
172.1866
MDL Number:
MFCD20038395
IUPAC Name:
2-amino-1-methylbenzimidazole-4-carbonitrile
InChI:
InChI=1S/C9H8N4/c1-13-7-4-2-3-6(5-10)8(7)12-9(13)11/h2-4H,1H3,(H2,11,12)
InChI Key:
CBFUQOZEBASVOV-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1nc(n2C)N
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.075g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.191g/mol
Monoisotopic Mass:
172.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties