| CAS Number | 1423040-61-2 |
| Catalog Number | AG01A102 |
| Chemical Name | (1S)-1-[4-(1H-imidazol-1-yl)phenyl]ethan-1-amine dihydrochloride |
| IUPAC Name | (1S)-1-(4-imidazol-1-ylphenyl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C11H13N3.2ClH/c1-9(12)10-2-4-11(5-3-10)14-7-6-13-8-14;;/h2-9H,12H2,1H3;2*1H/t9-;;/m0../s1 |
| InChI Key | GIGVQPSJEXMKPL-WWPIYYJJSA-N |
| MDL Number | MFCD22392113 |
| Molecular Formula | C11H15Cl2N3 |
| Molecular Weight | 260.1629 |
| SMILES | Cl.Cl.C[C@@H](C1=CC=C(N2C=NC=C2)C=C1)N |
| Synonyms | (1S)-1-[4-(1H-imidazol-1-yl)phenyl]ethan-1-amine dihydrochloride,
1423040-61-2,
MCULE-3942452357,
NE35767,
Z1436472924,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.162g/mol |
| Monoisotopic Mass | 259.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number