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149047-76-7 | 1H-Imidazole-1-carboxamide, N-(2-methylpropyl)-
CAS No: 149047-76-7 Catalog No: AG00HXOH MDL No:MFCD11099706
Product Description
Catalog Number:
AG00HXOH
Chemical Name:
1H-Imidazole-1-carboxamide, N-(2-methylpropyl)-
CAS Number:
149047-76-7
Molecular Formula:
C8H13N3O
Molecular Weight:
167.2083
MDL Number:
MFCD11099706
IUPAC Name:
N-(2-methylpropyl)imidazole-1-carboxamide
InChI:
InChI=1S/C8H13N3O/c1-7(2)5-10-8(12)11-4-3-9-6-11/h3-4,6-7H,5H2,1-2H3,(H,10,12)
InChI Key:
WJTQGNRVNGDPSW-UHFFFAOYSA-N
SMILES:
CC(CNC(=O)n1cncc1)C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.106g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.212g/mol
Monoisotopic Mass:
167.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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