| CAS Number | 1820639-52-8 |
| Catalog Number | AG01AMW6 |
| Chemical Name | {2-amino-1-[4-(methylsulfanyl)phenyl]ethyl}dimethylamine hydrochloride |
| IUPAC Name | N,N-dimethyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine;hydrochloride |
| InChI | InChI=1S/C11H18N2S.ClH/c1-13(2)11(8-12)9-4-6-10(14-3)7-5-9;/h4-7,11H,8,12H2,1-3H3;1H |
| InChI Key | DZPCRUZSQXHYMP-UHFFFAOYSA-N |
| MDL Number | MFCD29034044 |
| Molecular Formula | C11H19ClN2S |
| Molecular Weight | 246.8000 |
| SMILES | Cl.CSC1=CC=C(C(N(C)C)CN)C=C1 |
| Synonyms | 1820639-52-8,
{2-amino-1-[4-(methylsulfanyl)phenyl]ethyl}dimethylamine hydrochloride,
AKOS030757400,
Z2217033017,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.797g/mol |
| Monoisotopic Mass | 246.096g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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