Basic information
- CAS
82394-11-4- Standard SMILES
C[NH+](C)CC1c2ccccc2CSc2ccccc21.[Cl-]- InChIKey
NGGLAOUIXGGBFF-UHFFFAOYSA-N- Molecular formula
- C17H20ClNS
- Average molar mass
- 305.9 g/mol
- Monoisotopic mass
- 305.1004985
Names & identifiers
- Preferred name
- Dibenzo(b,e)thiepin-11-methanamine, 6,11-dihydro-N,N-dimethyl-, hydrochloride
- IUPAC
- 6,11-dihydrobenzo[c][1]benzothiepin-11-ylmethyl(dimethyl)azanium chloride
Names & synonyms
11-(Dimethylaminomethyl)-6,11-dihydrodibenzo(b,e)thiepin hydrochloride82394-11-46,11-Dihydro-N,N-dimethyldibenzo(b,e)thiepin-11-methanamine hydrochlorideDIBENZO(b,e)THIEPIN-11-METHANAMINE, 6,11-DIHYDRO-N,N-DIMETHYL-, HYDROCHLORIDERefChem:337109
Database identifiers
- CAS
82394-11-4- PubChem CID
- 54869
Properties
Computed structural properties
- Topological polar surface area
- 29.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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