| CAS Number | 40637-81-8 |
| Catalog Number | AG00C6RK(AGN-PC-0KK84V) |
| Chemical Name | 1-methyl-1H-imidazole-5-carboxamide |
| IUPAC Name | 3-methylimidazole-4-carboxamide |
| InChI | InChI=1S/C5H7N3O/c1-8-3-7-2-4(8)5(6)9/h2-3H,1H3,(H2,6,9) |
| InChI Key | FFEDTKQANJQNBP-UHFFFAOYSA-N |
| MDL Number | MFCD01567302 |
| Molecular Formula | C5H7N3O |
| Molecular Weight | 125.1286 |
| SMILES | CN1C(C(N)=O)=CN=C1 |
| Synonyms | 1-Methyl-1H-imidazole-5-carboxamide,
40637-81-8,
3-methylimidazole-4-carboxamide,
1-Methylimidazole-5-carboxamide,
3-methyl-3h-imidazole-4-carboxylic acid amide,
AC1MC6GH,
SCHEMBL2638060,
CTK6I3417,
MFCD01567302,
ZINC16123785,
AKOS006223209,
MCULE-9320798044,
Z1575308470,
CID2736884,
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| Complexity | 125 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 125.131g/mol |
| Monoisotopic Mass | 125.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 60.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number