| CAS Number | 16797-05-0 |
| Catalog Number | AG01AGPJ |
| Chemical Name | 2-Phenoxy-1-phenylethan-1-amine hydrochloride |
| IUPAC Name | 2-phenoxy-1-phenylethanamine;hydrochloride |
| InChI | InChI=1S/C14H15NO.ClH/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13;/h1-10,14H,11,15H2;1H |
| InChI Key | RCNZOUMSVNXHLT-UHFFFAOYSA-N |
| MDL Number | MFCD17214612 |
| Molecular Formula | C14H16ClNO |
| Molecular Weight | 249.7359 |
| SMILES | Cl.NC(C1=CC=CC=C1)COC1=CC=CC=C1 |
| Synonyms | 16797-05-0,
(1-amino-2-phenoxyethyl)benzene hydrochloride,
(2-amino-2-phenylethoxy)benzene hydrochloride,
2-phenoxy-1-phenylethan-1-amine hydrochloride,
AC1Q3CVN,
MCULE-4570414146,
NE35414,
EN300-72510,
Z1266823132,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.738g/mol |
| Monoisotopic Mass | 249.092g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number