Basic information
- CAS
77795-97-2- Standard SMILES
CC[NH+](CC)CCN1CCCC(c2ccc(F)cc2)c2ccc(F)cc21.[Cl-]- InChIKey
AGHYMYFMXPEUQN-UHFFFAOYSA-N- Molecular formula
- C22H29ClF2N2
- Average molar mass
- 394.9 g/mol
- Monoisotopic mass
- 394.198733
Names & identifiers
- Preferred name
- 1H-1-Benzazepine, 2,3,4,5-tetrahydro-1-(2-(diethylamino)ethyl)-8-fluoro-5-(4-fluorophenyl)-, monohydrochloride
- IUPAC
- diethyl-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethyl]azanium chloride
Names & synonyms
77795-97-2VUFB-140431H-1-Benzazepine, 2,3,4,5-tetrahydro-1-(2-(diethylamino)ethyl)-8-fluoro-5-(4-fluorophenyl)-, monohydrochloride2,3,4,5-Tetrahydro-1-(2-(diethylamino)ethyl)-8-fluoro-5-(4-fluorophenyl)-1H-1-benzazepine HClRefChem:237226diethyl-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethyl]azanium chloride
Database identifiers
- CAS
77795-97-2- PubChem CID
- 53787
Properties
Computed structural properties
- Topological polar surface area
- 7.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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