Didemethyldoxepin hydrochloride
Basic information
- CAS
63915-63-9- Standard SMILES
[Cl-].[NH3+]CC/C=C1/c2ccccc2COc2ccccc21- InChIKey
XWAPSMVWLAWJAW-SOCRLDLMSA-N- Molecular formula
- C17H18ClNO
- Average molar mass
- 287.8 g/mol
- Monoisotopic mass
- 287.1076919
Names & identifiers
- Preferred name
- Didemethyldoxepin hydrochloride
- IUPAC
- [(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]azanium chloride
Names & synonyms
Didemethyldoxepin hydrochloride63915-63-9RefChem:1083446Demethyldoxepin hydrochlorideDIBENZ(b,e)OXEPIN-delta(sup 11(6H)), gamma-PROPYLAMINE, HYDROCHLORIDE, (Z)-[(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]azanium;chloride
Database identifiers
- CAS
63915-63-9- PubChem CID
- 6434754
Properties
Computed structural properties
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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