2H-Azepin-2-one, 1,3-dihydro-1-(2-diethylaminoethyl)-3,5,7-trimethyl-, hydrochloride
Basic information
- CAS
1900-31-8- Standard SMILES
CC[NH+](CC)CCN1C(=O)C(C)C=C(C)C=C1C.[Cl-]- InChIKey
QQCLHCPSXXRWGT-UHFFFAOYSA-N- Molecular formula
- C15H27ClN2O
- Average molar mass
- 286.84 g/mol
- Monoisotopic mass
- 286.1811912
Names & identifiers
- Preferred name
- 2H-Azepin-2-one, 1,3-dihydro-1-(2-diethylaminoethyl)-3,5,7-trimethyl-, hydrochloride
- IUPAC
- diethyl-[2-(3,5,7-trimethyl-2-oxo-3H-azepin-1-yl)ethyl]azanium chloride
Names & synonyms
2H-Azepin-2-one, 1,3-dihydro-1-(2-diethylaminoethyl)-3,5,7-trimethyl-, hydrochloride1-(2-Diethylaminoethyl)-1,3-dihydro-3,5,7-trimethyl-2H-azepin-2-one hydrochloride1900-31-8RefChem:268425
Database identifiers
- CAS
1900-31-8- PubChem CID
- 15915
Properties
Computed structural properties
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 354
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