Dibenzo(b,e)thiepin-11-propylamine, 6,11-dihydro-N,N-dimethyl-, hydrochloride, hydrate (2:2:1)
Basic information
- CAS
846-54-8- Standard SMILES
C[NH+](C)CCCC1c2ccccc2CSc2ccccc21.[Cl-]- InChIKey
JUTSOXJHGGRSDY-UHFFFAOYSA-N- Molecular formula
- C19H24ClNS
- Average molar mass
- 333.9 g/mol
- Monoisotopic mass
- 333.1317986
Names & identifiers
- Preferred name
- Dibenzo(b,e)thiepin-11-propylamine, 6,11-dihydro-N,N-dimethyl-, hydrochloride, hydrate (2:2:1)
- IUPAC
- 3-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethylazanium chloride
Names & synonyms
Hydrothiadene hydrochloride hemihydrate846-54-86,11-Dihydro-N,N-dimethyldibenzo(b,e)thiepin-11-propylamine hydrochloride hydrate (2:2:1)Dibenzo(b,e)thiepin-11-propylamine, 6,11-dihydro-N,N-dimethyl-, hydrochloride, hydrate (2:2:1)RefChem:337115
Database identifiers
- CAS
846-54-8- PubChem CID
- 13309
Properties
Computed structural properties
- Topological polar surface area
- 29.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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