Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, 9-chloro-N,N-dimethyl-, hydrochloride
Basic information
- CAS
1159-83-7- Standard SMILES
C[NH+](C)CC/C=C1\c2ccccc2SCc2cccc(Cl)c21.[Cl-]- InChIKey
PHRHIKLLZWNOJG-QOVZSLTQSA-N- Molecular formula
- C19H21Cl2NS
- Average molar mass
- 366.3 g/mol
- Monoisotopic mass
- 365.0771762
Names & identifiers
- Preferred name
- Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, 9-chloro-N,N-dimethyl-, hydrochloride
- IUPAC
- [(3E)-3-(10-chloro-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium chloride
Names & synonyms
Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, 9-chloro-N,N-dimethyl-, hydrochloride1159-83-7RefChem:1083328
Database identifiers
- CAS
1159-83-7- PubChem CID
- 6433243
Properties
Computed structural properties
- Topological polar surface area
- 29.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 395
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Compound notes
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