1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-8-chloro-5-(3-(dimethylamino)propyl)-, hydrochloride
Basic information
- CAS
37479-96-2- Standard SMILES
C[NH+](C)CCCC1(O)CCCOc2cc(Cl)ccc21.[Cl-]- InChIKey
TVXJULSIMXKQDM-UHFFFAOYSA-N- Molecular formula
- C15H23Cl2NO2
- Average molar mass
- 320.3 g/mol
- Monoisotopic mass
- 319.1105844
Names & identifiers
- Preferred name
- 1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-8-chloro-5-(3-(dimethylamino)propyl)-, hydrochloride
- IUPAC
- 3-(8-chloro-5-hydroxy-3,4-dihydro-2H-1-benzoxepin-5-yl)propyl-dimethylazanium chloride
Names & synonyms
1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-8-chloro-5-(3-(dimethylamino)propyl)-, hydrochloride37479-96-22,3,4,5-Tetrahydro-8-chloro-5-(3-(dimethylamino)propyl)-1-benzoxepin-5-ol hydrochloride5-(3-Dimethylaminopropyl)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol hydrochlorideRefChem:227843
Database identifiers
- CAS
37479-96-2- PubChem CID
- 37738
Properties
Computed structural properties
- Topological polar surface area
- 33.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…