| CAS Number | 1195555-40-8 |
| Catalog Number | AG00HF14 |
| Chemical Name | METHYL 4-AMINO-1-METHYL-1H-IMIDAZOLE-5-CARBOXYLATE |
| IUPAC Name | methyl 5-amino-3-methylimidazole-4-carboxylate |
| InChI | InChI=1S/C6H9N3O2/c1-9-3-8-5(7)4(9)6(10)11-2/h3H,7H2,1-2H3 |
| InChI Key | NCLPYUXHVLFESG-UHFFFAOYSA-N |
| MDL Number | MFCD20703904 |
| Molecular Formula | C6H9N3O2 |
| Molecular Weight | 155.1546 |
| SMILES | COC(C1N(C)C=NC=1N)=O |
| Synonyms | METHYL 4-AMINO-1-METHYL-1H-IMIDAZOLE-5-CARBOXYLATE,
1195555-40-8,
MFCD20703904,
ZINC95803905,
AKOS023622310,
AS-41908,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.157g/mol |
| Monoisotopic Mass | 155.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number