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Home > Imidazoles > 79711-55-0
79711-55-0 | 1H-Imidazole-2-carboxamide, N-methyl-
CAS No: 79711-55-0 Catalog No: AG008LDW MDL No:MFCD19226370
Product Description
Catalog Number:
AG008LDW
Chemical Name:
1H-Imidazole-2-carboxamide, N-methyl-
CAS Number:
79711-55-0
Molecular Formula:
C5H7N3O
Molecular Weight:
125.1286
MDL Number:
MFCD19226370
IUPAC Name:
N-methyl-1H-imidazole-2-carboxamide
InChI:
InChI=1S/C5H7N3O/c1-6-5(9)4-7-2-3-8-4/h2-3H,1H3,(H,6,9)(H,7,8)
InChI Key:
OWWASHBXVFOTDF-UHFFFAOYSA-N
SMILES:
CNC(=O)c1ncc[nH]1
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.059g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
125.131g/mol
Monoisotopic Mass:
125.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| DNA damage and cytotoxicity induced by minor groove binding methyl sulfonate esters. | Biochemistry 20031209 |
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