| CAS Number | 6736-40-9 |
| Catalog Number | AG00FUUU(AGN-PC-0OG3FQ) |
| Chemical Name | N-Methyl-5-(methylamino)-1H-imidazole-4-carboxamide |
| IUPAC Name | N-methyl-4-(methylamino)-1H-imidazole-5-carboxamide |
| InChI | InChI=1S/C6H10N4O/c1-7-5-4(6(11)8-2)9-3-10-5/h3,7H,1-2H3,(H,8,11)(H,9,10) |
| InChI Key | HBYDWASAZICSRC-UHFFFAOYSA-N |
| MDL Number | MFCD27967026 |
| Molecular Formula | C6H10N4O |
| Molecular Weight | 154.1698 |
| SMILES | CNC(=O)C=1N=CNC1NC |
| UNII | 76560HOO1I |
| Synonyms | Theophyllidine,
UNII-76560HOO1I,
6736-40-9,
76560HOO1I,
1H-Imidazole-4-carboxamide, N-methyl-5-(methylamino)-,
Theophyllidin,
Theophyllidine,crm standard,
SCHEMBL3915349,
CTK2F7386,
DTXSID90217706,
HBYDWASAZICSRC-UHFFFAOYSA-N,
ZINC103597136,
4-methylamino-5-methylcarbamoylimidazole,
N-Methyl-5-methylamino-1H-imidazole-4-carboxamide,
N-methyl-5-(methylamino)-1H-imidazole-4-carboxamide,
N-Methyl-5-(methylamino)-1H-imidazole-4-carboxamide (Theophyllidine),
C6-H10-N4-O,
N-methyl-4-(methylamino)-1H-imidazole-5-carboxamide,
623163-58-6,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.173g/mol |
| Monoisotopic Mass | 154.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number