| CAS Number | 1311314-56-3 |
| Catalog Number | AG01AHBV |
| Chemical Name | 2-(3-chlorophenyl)-2-[(2-methylpropyl)sulfanyl]ethan-1-amine hydrochloride |
| IUPAC Name | 2-(3-chlorophenyl)-2-(2-methylpropylsulfanyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C12H18ClNS.ClH/c1-9(2)8-15-12(7-14)10-4-3-5-11(13)6-10;/h3-6,9,12H,7-8,14H2,1-2H3;1H |
| InChI Key | MWGIRCDAOXHNOH-UHFFFAOYSA-N |
| MDL Number | MFCD18483277 |
| Molecular Formula | C12H19Cl2NS |
| Molecular Weight | 280.2570 |
| SMILES | Cl.CC(CSC(C1=CC(Cl)=CC=C1)CN)C |
| Synonyms | 2-(3-chlorophenyl)-2-[(2-methylpropyl)sulfanyl]ethan-1-amine hydrochloride,
1311314-56-3,
MCULE-2680606381,
NE54701,
EN300-74273,
Z1266933841,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.061526g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.3g/mol |
| Monoisotopic Mass | 279.061526g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 51.3Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number