| CAS Number | 227078-19-5 |
| Catalog Number | AG006WWY(AGN-PC-0QZANY) |
| Chemical Name | 5-Amino-2-isopropyl-1H-imidazole-4-carboxamide |
| IUPAC Name | 4-amino-2-propan-2-yl-1H-imidazole-5-carboxamide |
| InChI | InChI=1S/C7H12N4O/c1-3(2)7-10-4(6(9)12)5(8)11-7/h3H,8H2,1-2H3,(H2,9,12)(H,10,11) |
| InChI Key | QKQLQQHDKJCDIK-UHFFFAOYSA-N |
| MDL Number | MFCD03844699 |
| Molecular Formula | C7H12N4O |
| Molecular Weight | 168.1964 |
| SMILES | O=C(C1=C(N)NC(C(C)C)=N1)N |
| Synonyms | 5-AMINO-2-ISOPROPYL-1H-IMIDAZOLE-4-CARBOXAMIDE,
227078-19-5,
C7H12N4O,
CTK8E5155,
CTK8F6713,
DTXSID60458649,
7745AD,
MFCD03844699,
ZINC36040050,
AKOS006278389,
AKOS030241815,
DA-07920,
RT-010162,
FT-0728665,
K-6331,
J-014820,
5-amino-2-(propan-2-yl)-1H-imidazole-4-carboxamide,
CID11205998,
5-amino-2-propan-2-yl-3H-imidazole-4-carboxamide,
1H-Imidazole-4-carboxamide, 5-amino-2-(1-methylethyl)- (9CI),
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.2g/mol |
| Monoisotopic Mass | 168.101g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 97.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number