Bicyclo(2.2.1)heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-, compd. with1-(cyclohexylmethyl)piperidine (1:1)
Basic information
- CAS
63916-54-1- Standard SMILES
C1CCC(CN2CCCCC2)CC1.CC1(C)C2CC[C@@]1(CS(=O)(=O)O)C(=O)C2- InChIKey
NYYVCTVAXPPMSJ-FHIDHQGESA-N- Molecular formula
- C22H39NO4S
- Average molar mass
- 413.6 g/mol
- Monoisotopic mass
- 413.2599799
Names & identifiers
- Preferred name
- Bicyclo(2.2.1)heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-, compd. with1-(cyclohexylmethyl)piperidine (1:1)
- IUPAC
- 1-(cyclohexylmethyl)piperidine;[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
Names & synonyms
63916-54-1RefChem:1079774Piperidinomethylcyclohexane, camphosulfateSD 210-37Cyclohexane, piperidinomethyl-, camphosulfate saltPiperidino-methyl-cyclohexane (camphosulfonate) [French]Piperidino-methyl-cyclohexane (camphosulfonate)
Database identifiers
- CAS
63916-54-1- PubChem CID
- 3048629
Properties
Computed structural properties
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 536
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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