| CAS Number | 1249620-54-9 |
| Catalog Number | AG01BHN4 |
| Chemical Name | [(3-chlorophenyl)methyl][2-(1H-imidazol-1-yl)ethyl]amine |
| IUPAC Name | N-[(3-chlorophenyl)methyl]-2-imidazol-1-ylethanamine |
| InChI | InChI=1S/C12H14ClN3/c13-12-3-1-2-11(8-12)9-14-4-6-16-7-5-15-10-16/h1-3,5,7-8,10,14H,4,6,9H2 |
| InChI Key | BAJPUQGATIEMHV-UHFFFAOYSA-N |
| MDL Number | MFCD14618864 |
| Molecular Formula | C12H14ClN3 |
| Molecular Weight | 235.7127 |
| SMILES | ClC1=CC(CNCCN2C=NC=C2)=CC=C1 |
| Synonyms | [(3-chlorophenyl)methyl][2-(1H-imidazol-1-yl)ethyl]amine,
1249620-54-9,
ZINC41041717,
AKOS008992248,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.715g/mol |
| Monoisotopic Mass | 235.088g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number