5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-6,7-diol;hydrobromide
Basic information
- CAS
62717-85-5- Standard SMILES
Br.Oc1ccc2c(c1O)C(c1ccccc1)CNCC2- InChIKey
QARVMQRBOVLCDF-UHFFFAOYSA-N- Molecular formula
- C16H18BrNO2
- Average molar mass
- 336.22 g/mol
- Monoisotopic mass
- 335.05209
Names & identifiers
- Preferred name
- 5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-6,7-diol;hydrobromide
- IUPAC
- 5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-6,7-diol;hydrobromide
Names & synonyms
62717-85-5SCHEMBL11707996DTXSID706140775-Phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-6,7-diol--hydrogen bromide (1/1)
Database identifiers
- CAS
62717-85-5- PubChem CID
- 21450199
- DTXSID
DTXSID70614077
Properties
Computed structural properties
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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