Basic information
- CAS
111475-15-1- Standard SMILES
CCC(C[NH+]1CCCCCC1)C(=O)c1ccccc1.[Cl-]- InChIKey
ANRAAPIPUFBQJQ-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO
- Average molar mass
- 295.8 g/mol
- Monoisotopic mass
- 295.1702921
Names & identifiers
- Preferred name
- Butyrophenone, 2-((hexahydro-1H-azepin-1-yl)methyl)-, hydrochloride
- IUPAC
- 2-(azepan-1-ium-1-ylmethyl)-1-phenylbutan-1-one chloride
Names & synonyms
2-((Hexahydro-1H-azepin-1-yl)methyl)butyrophenone hydrochloride111475-15-1BUTYROPHENONE, 2-((HEXAHYDRO-1H-AZEPIN-1-YL)METHYL)-, HYDROCHLORIDERefChem:331373TG-8
Database identifiers
- CAS
111475-15-1- PubChem CID
- 60503
Properties
Computed structural properties
- Topological polar surface area
- 21.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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