| CAS Number | 1609406-59-8 |
| Catalog Number | AG00J3YF(AGN-PC-0WB7LA) |
| Chemical Name | N-Methyl-3-[(4-methylphenyl)thio]-1-propanamine hydrochloride |
| IUPAC Name | N-methyl-3-(4-methylphenyl)sulfanylpropan-1-amine;hydrochloride |
| InChI | InChI=1S/C11H17NS.ClH/c1-10-4-6-11(7-5-10)13-9-3-8-12-2;/h4-7,12H,3,8-9H2,1-2H3;1H |
| InChI Key | KSRUSKLRKUZUAW-UHFFFAOYSA-N |
| MDL Number | MFCD13194087 |
| Molecular Formula | C11H18ClNS |
| Molecular Weight | 231.7853 |
| SMILES | C1(C=CC(C)=CC=1)SCCCNC.Cl |
| Synonyms | 1609406-59-8,
N-Methyl-3-[(4-methylphenyl)thio]-1-propanamine hydrochloride,
N-Methyl-3-(p-tolylthio)propan-1-amine hydrochloride,
ZX-CM017884,
MFCD13194087,
AKOS027426709,
|
| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.782g/mol |
| Monoisotopic Mass | 231.085g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number