| CAS Number | 1368493-92-8 |
| Catalog Number | AG01BTUK |
| Chemical Name | [1-(propan-2-yl)-1H-imidazol-4-yl]methanamine |
| IUPAC Name | (1-propan-2-ylimidazol-4-yl)methanamine |
| InChI | InChI=1S/C7H13N3/c1-6(2)10-4-7(3-8)9-5-10/h4-6H,3,8H2,1-2H3 |
| InChI Key | KOWMCNHQFPFVHI-UHFFFAOYSA-N |
| MDL Number | MFCD21909568 |
| Molecular Formula | C7H13N3 |
| Molecular Weight | 139.1982 |
| SMILES | CC(N1C=C(CN)N=C1)C |
| Synonyms | [1-(propan-2-yl)-1H-imidazol-4-yl]methanamine,
ZINC82522313,
1368493-92-8,
|
| Complexity | 103 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.202g/mol |
| Monoisotopic Mass | 139.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number