Basic information
- CAS
111472-70-9- Standard SMILES
CC(=O)CC[NH+]1CCCCCC1.[Cl-]- InChIKey
INUXMLQXVLOVNR-UHFFFAOYSA-N- Molecular formula
- C10H20ClNO
- Average molar mass
- 205.72 g/mol
Names & identifiers
- Preferred name
- 4-(Azepan-1-yl)butan-2-one--hydrogen chloride (1/1)
- IUPAC
- 4-(azepan-1-ium-1-yl)butan-2-one chloride
Names & synonyms
111472-70-9DTXSID009121744-(Azepan-1-yl)butan-2-one--hydrogen chloride (1/1)RefChem:1070036DTXCID501341199TG-14-(Hexahydro-1H-azepin-1-yl)-2-butanone hydrochloride2-BUTANONE, 4-(HEXAHYDRO-1H-AZEPIN-1-YL)-, HYDROCHLORIDEINUXMLQXVLOVNR-UHFFFAOYSA-N
Database identifiers
- CAS
111472-70-9- PubChem CID
- 60499
Properties
Computed structural properties
- Topological polar surface area
- 21.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 137
Related reactions
1 records
Compound notes
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