| CAS Number | 1609396-13-5 |
| Catalog Number | AG00J3PH |
| Chemical Name | Benzeneethanamine, N-[(3-methoxyphenyl)methyl]-, hydrochloride (1:1) |
| IUPAC Name | N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride |
| InChI | InChI=1S/C16H19NO.ClH/c1-18-16-9-5-8-15(12-16)13-17-11-10-14-6-3-2-4-7-14;/h2-9,12,17H,10-11,13H2,1H3;1H |
| InChI Key | ZYTGYDICMOZSTN-UHFFFAOYSA-N |
| MDL Number | MFCD13186530 |
| Molecular Formula | C16H20ClNO |
| Molecular Weight | 277.7891 |
| SMILES | COc1cccc(c1)CNCCc1ccccc1.Cl |
| Synonyms | N-(3-Methoxybenzyl)-2-phenylethanamine hydrochloride,
1609396-13-5,
ZX-CM015954,
MFCD13186530,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.792g/mol |
| Monoisotopic Mass | 277.123g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number