Basic information
- CAS
82394-10-3- Standard SMILES
C[NH2+]CC1c2ccccc2CSc2c(OC)cccc21.[Cl-]- InChIKey
NMQXJIAJDPUOSU-UHFFFAOYSA-N- Molecular formula
- C17H20ClNOS
- Average molar mass
- 321.9 g/mol
- Monoisotopic mass
- 321.0954131
Names & identifiers
- Preferred name
- Dibenzo(b,e)thiepin-11-methanamine, 6,11-dihydro-4-methoxy-N-methyl-, hydrochloride
- IUPAC
- (4-methoxy-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)methyl-methylazanium chloride
Names & synonyms
Dibenzo(b,e)thiepin-11-methanamine, 6,11-dihydro-4-methoxy-N-methyl-, hydrochlorideRefChem:108331182394-10-36,11-Dihydro-4-methoxy-N-methyldibenzo(b,e)thiepin-11-methanamine hydrochlorideNSC 3615714-Methoxy-11-(methylaminomethyl)-6,11-dihydrodibenzo(b,e)thiepin hydrochloride
Database identifiers
- CAS
82394-10-3- PubChem CID
- 54867
Properties
Computed structural properties
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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