Basic information
- CAS
60969-92-8- Standard SMILES
C[NH2+]C1Cc2cc(OC)c(OC)cc2Sc2ccccc21.[Cl-]- InChIKey
HVYNRUIHXCWLNW-UHFFFAOYSA-N- Molecular formula
- C17H20ClNO2S
- Average molar mass
- 337.9 g/mol
- Monoisotopic mass
- 337.0903277
Names & identifiers
- Preferred name
- Dibenzo(b,f)thiepin-10-amine, 10,11-dihydro-2,3-dimethoxy-N-methyl-, hydrochloride
- IUPAC
- (2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-methylazanium chloride
Names & synonyms
Dibenzo(b,f)thiepin-10-amine, 10,11-dihydro-2,3-dimethoxy-N-methyl-, hydrochloride10,11-Dihydro-2,3-dimethoxy-N-methyldibenzo(b,f)thiepin-10-amine hydrochloride2,3-Dimethoxy-10-methylamino-10,11-dihydrodibenzo(b,f)thiepin hydrochloride60969-92-8RefChem:337164
Database identifiers
- CAS
60969-92-8- PubChem CID
- 43516
Properties
Computed structural properties
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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