Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,2-dimethyl-, hydrochloride, (E)-
Basic information
- CAS
21465-97-4- Standard SMILES
C[NH2+]CC/C=C1\c2ccccc2CSc2ccc(C)cc21.[Cl-]- InChIKey
JVVQNXQVJSSPSP-XIDBHWPPSA-N- Molecular formula
- C19H22ClNS
- Average molar mass
- 331.9 g/mol
- Monoisotopic mass
- 331.1161486
Names & identifiers
- Preferred name
- Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,2-dimethyl-, hydrochloride, (E)-
- IUPAC
- methyl-[(3E)-3-(2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]azanium chloride
Names & synonyms
Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,2-dimethyl-, hydrochloride, (E)-21465-97-4RefChem:1083320trans-N,2-Dimethyldibenzo(b,e)thiepin(sup 11(6H),gamma)-propylamine hydrochloride
Database identifiers
- CAS
21465-97-4- PubChem CID
- 6433784
Properties
Computed structural properties
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 365
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Compound notes
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