Basic information
- CAS
82394-08-9- Standard SMILES
C[NH2+]CC1c2ccccc2CSc2ccccc21.[Cl-]- InChIKey
QYVJZJBUIBZARG-UHFFFAOYSA-N- Molecular formula
- C16H18ClNS
- Average molar mass
- 291.8 g/mol
- Monoisotopic mass
- 291.0848484
Names & identifiers
- Preferred name
- Dibenzo(b,e)thiepin-11-methanamine, 6,11-dihydro-N-methyl-, hydrochloride
- IUPAC
- 6,11-dihydrobenzo[c][1]benzothiepin-11-ylmethyl(methyl)azanium chloride
Names & synonyms
11-(Methylaminomethyl)-6,11-dihydrodibenzo(b,e)thiepin hydrochloride82394-08-96,11-Dihydro-N-methyldibenzo(b,e)thiepin-11-methanamine hydrochlorideDIBENZO(b,e)THIEPIN-11-METHANAMINE, 6,11-DIHYDRO-N-METHYL-, HYDROCHLORIDERefChem:337111
Database identifiers
- CAS
82394-08-9- PubChem CID
- 54865
Properties
Computed structural properties
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…