7-Chloro-1-methyl-3,4,5,6-tetrahydro-2H-azepin-1-ium chloride
Basic information
- CAS
86208-91-5- Standard SMILES
C[N+]1=C(Cl)CCCCC1.[Cl-]- InChIKey
MTUWCFGTHVGNLB-UHFFFAOYSA-M- Molecular formula
- C7H13Cl2N
- Average molar mass
- 182.09 g/mol
- Monoisotopic mass
- 181.0425048
Names & identifiers
- Preferred name
- 7-Chloro-1-methyl-3,4,5,6-tetrahydro-2H-azepin-1-ium chloride
- IUPAC
- 7-chloro-1-methyl-3,4,5,6-tetrahydro-2H-azepin-1-ium chloride
Names & synonyms
DTXSID2051669886208-91-57-Chloro-1-methyl-3,4,5,6-tetrahydro-2H-azepin-1-ium chlorideRefChem:310521DTXCID10467504
Database identifiers
- CAS
86208-91-5- PubChem CID
- 13058828
- DTXSID
DTXSID20516698
Properties
Computed structural properties
- Topological polar surface area
- 3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
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Compound notes
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