(+-)-2(a)-Amino-3(e)-phenyl-trans-decalin methanesulfonate
(2S,3R,4aS,8aS)-3-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine;methanesulfonic acid
Also Known As: KST-1A5091|(+-)-2(a)-Amino-3(e)-phenyl-trans-decalin methanesulfonate|Acetamide,2-[(diazoacetyl)amino]-N-ethyl-(9CI)|Naphthalen-2-axial-amine, decahydro-3-equatorial-phenyl-, methanesulfonate, (+-)-|(+-)-Decahydro-3-equatorial-phenylnaphthalen-2-axial-amine methanesulfonate|(2s,3r,4as,8as)-3-phenyldecahydronaphthalen-2-amine methanesulfonate(1:1)|(2S,3R,4aS,8aS)-3-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine,methanesulfonic acid|(2S,3R,4aS,8aS)-3-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine; methanesulfonic acid
| Molecular Formula | C17H27NO3S |
|---|---|
| Molecular Weight | 325.17117 g/mol |
| LogP | 3.2017 |
| Topological Polar Surface Area | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 325.17117 |
| Monoisotopic Mass | 325.17117 |
| Heavy Atoms | 22 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 5000-44-2 |
|---|---|
| SMILES | CS(=O)(=O)O.C1CC[C@H]2C[C@@H]([C@H](C[C@@H]2C1)C3=CC=CC=C3)N |
| InChIKey | QBRWXKHVUDQGGH-VZULWULUSA-N |
Product Overview
(+-)-2(a)-Amino-3(e)-phenyl-trans-decalin methanesulfonate (CAS 5000-44-2), with molecular formula C17H27NO3S and molecular weight 325.17117 g/mol. IUPAC: (2S,3R,4aS,8aS)-3-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine;methanesulfonic acid.