| CAS Number | 1807939-77-0 |
| Catalog Number | AG01BCJU |
| Chemical Name | (S)-N1,N1-Dimethyl-2-phenylethane-1,2-diamine dihydrochloride |
| IUPAC Name | (1S)-N',N'-dimethyl-1-phenylethane-1,2-diamine;dihydrochloride |
| InChI | InChI=1S/C10H16N2.2ClH/c1-12(2)8-10(11)9-6-4-3-5-7-9;;/h3-7,10H,8,11H2,1-2H3;2*1H/t10-;;/m1../s1 |
| InChI Key | WHUGFNKIYIGBIU-YQFADDPSSA-N |
| MDL Number | MFCD28954162 |
| Molecular Formula | C10H18Cl2N2 |
| Molecular Weight | 237.1693 |
| SMILES | Cl.Cl.CN(C[C@H](C1=CC=CC=C1)N)C |
| Synonyms | 1807939-77-0,
[(2S)-2-amino-2-phenylethyl]dimethylamine dihydrochloride,
AKOS027320071,
Z2177030774,
N-((2S)-2-Amino-2-phenylethyl)-N,N-dimethylamine dihydrochloride,
(S)-N1,N1-Dimethyl-2-phenylethane-1,2-diamine dihydrochloride,
702699-84-1,
|
| Complexity | 117 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.168g/mol |
| Monoisotopic Mass | 236.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number