1-(2-Chloroethyl)-2-methylpiperidin-1-ium chloride
Basic information
- CAS
62124-27-0- Standard SMILES
CC1CCCC[NH+]1CCCl.[Cl-]- InChIKey
DCOWTQWMKSXLCO-UHFFFAOYSA-N- Molecular formula
- C8H17Cl2N
- Average molar mass
- 198.13 g/mol
- Monoisotopic mass
- 197.0738049
Names & identifiers
- Preferred name
- 1-(2-Chloroethyl)-2-methylpiperidin-1-ium chloride
- IUPAC
- 1-(2-chloroethyl)-2-methylpiperidin-1-ium chloride
Names & synonyms
NS00055816
Database identifiers
- CAS
62124-27-0- PubChem CID
- 3017314
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 95.3
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Compound notes
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