| CAS Number | 451503-28-9 |
| Catalog Number | AG00DLJH(AGN-PC-0RTEV2) |
| Chemical Name | (S)-(4-Chlorophenyl)(phenyl)methanamine, HCl |
| IUPAC Name | (S)-(4-chlorophenyl)-phenylmethanamine;hydrochloride |
| InChI | InChI=1S/C13H12ClN.ClH/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;/h1-9,13H,15H2;1H/t13-;/m0./s1 |
| InChI Key | UHPRBUXOILBKFH-ZOWNYOTGSA-N |
| MDL Number | MFCD12068476 |
| Molecular Formula | C13H13Cl2N |
| Molecular Weight | 254.1550 |
| SMILES | Cl.ClC1=CC=C(C=C1)[C@@H](N)C1=CC=CC=C1 |
| Synonyms | 451503-28-9,
(S)-(4-Chlorophenyl)(phenyl)methanamine HCl,
(S)-(4-Chlorophenyl)(phenyl)methanamine hydrochloride,
DTXSID60679458,
MFCD12068476,
AS-40132,
(S)-1-(4-Chlorophenyl)-1-phenylmethanamine--hydrogen chloride (1/1),
(R)-(4-Chlorophenyl)(phenyl)methanamine HCl,
451503-29-0,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.154g/mol |
| Monoisotopic Mass | 253.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number