Basic information
- CAS
6311-28-0- Standard SMILES
CCCCN1CC2CCCCC2C1.Cl- InChIKey
PTBOFEPBAQVPOS-UHFFFAOYSA-N- Molecular formula
- C12H24ClN
- Average molar mass
- 217.78 g/mol
- Monoisotopic mass
- 217.1597275
Names & identifiers
- Preferred name
- 2-Butyloctahydro-1H-isoindole--hydrogen chloride (1/1)
- IUPAC
- 2-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;hydrochloride
Names & synonyms
6311-28-02-Butyloctahydro-1H-isoindole--hydrogen chloride (1/1)DTXSID10712829NSC43536NSC-43536
Database identifiers
- CAS
6311-28-0- PubChem CID
- 54599747
- DTXSID
DTXSID10712829
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 141
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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