| CAS Number | 1158499-87-6 |
| Catalog Number | AG00J3MA |
| Chemical Name | [2-(4-methoxyphenyl)ethyl][4-(methylthio)benzyl]amine hydrochloride |
| IUPAC Name | 2-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine;hydrochloride |
| InChI | InChI=1S/C17H21NOS.ClH/c1-19-16-7-3-14(4-8-16)11-12-18-13-15-5-9-17(20-2)10-6-15;/h3-10,18H,11-13H2,1-2H3;1H |
| InChI Key | VUAZGUIWSRJCEI-UHFFFAOYSA-N |
| MDL Number | MFCD07110502 |
| Molecular Formula | C17H22ClNOS |
| Molecular Weight | 323.8807 |
| SMILES | C1(C=CC(CNCCC2=CC=C(OC)C=C2)=CC=1)SC.Cl |
| Synonyms | [2-(4-Methoxyphenyl)ethyl][4-(methylthio)benzyl]amine hydrochloride,
1158499-87-6,
ZX-CM015798,
MFCD07110502,
331970-71-9,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.879g/mol |
| Monoisotopic Mass | 323.111g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number