Methanesulfonic acid--3-phenyldecahydronaphthalen-2-amine (1/1)
(2S,3S,4aR,8aR)-3-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine;methanesulfonic acid
Also Known As: NIOSH/QJ0352800|KST-1A5090|(+-)-2(a)-Amino-3(a)-phenyl-trans-decalin methanesulfonate|(+-)-Decahydro-3-axial-phenylnaphthalen-2-axial-amine methanesulfonate|(2s,3s,4ar,8ar)-3-phenyldecahydronaphthalen-2-amine methanesulfonate(1:1)|(2S,3S,4aR,8aR)-3-phenyldecalin-2-amine; methanesulfonic acid|Methanesulfonic acid--3-phenyldecahydronaphthalen-2-amine (1/1)|Naphthalen-2-axial-amine, decahydro-3-axial-phenyl-, methanesulfonate, (+-)-|(+-)-2(e)-Amino-3(a)-phenyl-trans-decalin methanesulfonate|(+-)-Decahydro-3-axial-phenylnaphthalen-2-equatorial-amine methanesulfonate|Methanesulfonic acid--(2S,3S,4aR,8aR)-3-phenyldecahydronaphthalen-2-amine (1/1)|Naphthalen-2-equatorial-amine, decahydro-3-axial-phenyl-, methanesulfonate, (+-)-|(2S,3S,4aR,8aR)-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 | 5000-35-1 |
|---|---|
| SMILES | CS(=O)(=O)O.C1CC[C@@H]2C[C@@H]([C@@H](C[C@H]2C1)C3=CC=CC=C3)N |
| InChIKey | QBRWXKHVUDQGGH-DAEKMUCVSA-N |
Product Overview
Methanesulfonic acid--3-phenyldecahydronaphthalen-2-amine (1/1) (CAS 5000-35-1), with molecular formula C17H27NO3S and molecular weight 325.17117 g/mol. IUPAC: (2S,3S,4aR,8aR)-3-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine;methanesulfonic acid.