Basic information
- CAS
38727-07-0- Standard SMILES
CS(=O)(=O)O.N[C@@H]1CCCC[C@H]1c1ccccc1- InChIKey
PXJIQRJEFQMXDY-ZVWHLABXSA-N- Molecular formula
- C13H21NO3S
- Average molar mass
- 271.38 g/mol
- Monoisotopic mass
- 271.12421471
Names & identifiers
- Preferred name
- Cyclohexylamine, 2-phenyl-, monomethanesulfonate, trans-(+-)-
- IUPAC
- methanesulfonic acid;trans-(1R,2S)-2-phenylcyclohexan-1-amine
- English name
- Cyclohexylamine, 2-phenyl-, monomethanesulfonate, trans-(+-)-
- Molecular formula
- C12H17N.CH4O3S
- Molecular weight
- 271.38
Names & synonyms
38727-07-0Cyclohexylamine, 2-phenyl-, monomethanesulfonate, trans-(+-)-dl-trans-2-Phenylcyclohexylamine methanesulfonateDTXSID40192019RefChem:335734DTXCID00114510Methanesulfonic acid--(1R,2S)-2-phenylcyclohexan-1-amine (1/1)
Database identifiers
- CAS
38727-07-0- PubChem CID
- 217375
- DTXSID
DTXSID40192019
Properties
Computed structural properties
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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