Basic information
- CAS
7460-12-0- Standard SMILES
CN[C@@H](C)[C@@H](O)c1ccccc1.O=S(=O)(O)O- InChIKey
XVPDSDYVNYOVMP-KXNXZCPBSA-N- Molecular formula
- C10H17NO5S
- Average molar mass
- 263.31 g/mol
- Monoisotopic mass
- 263.08274382
Names & identifiers
- Preferred name
- (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfuric acid
- IUPAC
- (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfuric acid
Names & synonyms
(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfuric acidSCHEMBL41309XVPDSDYVNYOVMP-KXNXZCPBSA-NAKOS015891207PD051981
Database identifiers
- CAS
7460-12-0- PubChem CID
- 62945
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 202
Related reactions
1 records
Compound notes
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