1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-chloro-, O-(2-(dimethylamino)ethyl)oxime, monohydrochloride
Basic information
- CAS
55580-11-5- Standard SMILES
CN(C)CCO/N=C1/CCCOc2ccc(Cl)cc21.Cl- InChIKey
XINKUNLTYYMJBE-UNVLYCKESA-N- Molecular formula
- C14H20Cl2N2O2
- Average molar mass
- 319.2 g/mol
- Monoisotopic mass
- 318.0901833
Names & identifiers
- Preferred name
- 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-chloro-, O-(2-(dimethylamino)ethyl)oxime, monohydrochloride
- IUPAC
- 2-[(Z)-(7-chloro-3,4-dihydro-2H-1-benzoxepin-5-ylidene)amino]oxy-N,N-dimethylethanamine;hydrochloride
Names & synonyms
1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-chloro-, O-(2-(dimethylamino)ethyl)oxime, monohydrochloride55580-11-5RefChem:10549267-Chloro-3,4-dihydro-1-benzoxepin-O-(dimethylaminoethyl)-5-one oxime hydrochloride
Database identifiers
- CAS
55580-11-5- PubChem CID
- 6509907
Properties
Computed structural properties
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 310
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Compound notes
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