Basic information
- CAS
95424-20-7- Standard SMILES
CN(C)CC/C=C1\c2ccccc2CSc2ccc(Cl)cc21- InChIKey
DLJBOZHCEAEORP-CAOOACKPSA-N- Molecular formula
- C19H20ClNS
- Average molar mass
- 329.9 g/mol
- Monoisotopic mass
- 329.1004985
Names & identifiers
- Preferred name
- Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, 2-chloro-N,N-dimethyl-, hydrochloride
- IUPAC
- (3E)-3-(2-chloro-6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine
Names & synonyms
Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, 2-chloro-N,N-dimethyl-, hydrochloride95424-20-7RefChem:1083327BRN 1350782
Database identifiers
- CAS
95424-20-7- PubChem CID
- 6435541
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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