Basic information
- CAS
54951-31-4- Standard SMILES
COc1ccc2c(c1)N(CCN(C(C)C)C(C)C)C(=O)CCC2- InChIKey
WUUPKSODGWXAMQ-UHFFFAOYSA-N- Molecular formula
- C19H30N2O2
- Average molar mass
- 318.5 g/mol
- Monoisotopic mass
- 318.2307282
Names & identifiers
- Preferred name
- 1H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-1-(2-(diisopropylamino)ethyl)-8-methoxy-
- IUPAC
- 1-[2-[di(propan-2-yl)amino]ethyl]-8-methoxy-4,5-dihydro-3H-1-benzazepin-2-one
- English name
- 2,3,4,5-Tetrahydro-1-[2-(diisopropylamino)ethyl]-8-methoxy-1H-1-benzazepin-2-one
- Molecular formula
- C19H30N2O2
- Molecular weight
- 318.45
Names & synonyms
54951-31-41H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-1-(2-(diisopropylamino)ethyl)-8-methoxy-BRN 14933181H-1-Benzazepin-2-one, 1-(2-(diisopropylamino)ethyl)-8-methoxy-2,3,4,5-tetrahydro-DTXSID20203475DB-3130061-{2-[Di(propan-2-yl)amino]ethyl}-8-methoxy-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one2,3,4,5-Tetrahydro-1-[2-(diisopropylamino)ethyl ]-8-methoxy-1h-1-benzazepin-2-one2,3,4,5-Tetrahydro-1-[2-(diisopropylamino)ethyl]-8-methoxy-1H-1-benzazepin-2-one2H-1-Benzazepin-2-one, 1-[2-[bis(1-methylethyl)amino]ethyl]-1,3,4,5-tetrahydro-8-methoxy-
Database identifiers
- CAS
54951-31-4- PubChem CID
- 41246
- DTXSID
DTXSID20203475- Nikkaji
- J149.238A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- Boiling point
- 491.4 · 491.4±45.0 °C(Predicted)
- Density
- 1.026 · 1.026±0.06 g/cm3(Predicted)
- pka
- 10.09 · 10.09±0.28(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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