| CAS Number | 1048640-81-8 |
| Catalog Number | AG00J3SW |
| Chemical Name | N-(2-Methylbenzyl)-1-phenylethanamine hydrochloride |
| IUPAC Name | N-[(2-methylphenyl)methyl]-1-phenylethanamine;hydrochloride |
| InChI | InChI=1S/C16H19N.ClH/c1-13-8-6-7-11-16(13)12-17-14(2)15-9-4-3-5-10-15;/h3-11,14,17H,12H2,1-2H3;1H |
| InChI Key | KHZCDBMOUSWHHE-UHFFFAOYSA-N |
| MDL Number | MFCD03930960 |
| Molecular Formula | C16H20ClN |
| Molecular Weight | 261.7897 |
| SMILES | N(C(C)C1=CC=CC=C1)CC1C=CC=CC=1C.Cl |
| Synonyms | N-(2-Methylbenzyl)-1-phenylethanamine hydrochloride,
1048640-81-8,
ARONIS005013,
KS-00003XNF,
ZX-CM016823,
MFCD03930960,
AKOS003746403,
ST45041794,
[(2-methylphenyl)methyl](phenylethyl)amine, chloride,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.793g/mol |
| Monoisotopic Mass | 261.128g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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