11H-Dibenzo(b,e)(1,4)diazepin-11-one, 5,10-dihydro-10-(3-(diethylamino)propyl)-
Basic information
- CAS
4231-97-4- Standard SMILES
CCN(CC)CCCN1C(=O)c2ccccc2Nc2ccccc21- InChIKey
OJTXPGCWXBTARX-UHFFFAOYSA-N- Molecular formula
- C20H25N3O
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.19976243
Names & identifiers
- Preferred name
- 11H-Dibenzo(b,e)(1,4)diazepin-11-one, 5,10-dihydro-10-(3-(diethylamino)propyl)-
- IUPAC
- 5-[3-(diethylamino)propyl]-11H-benzo[b][1,4]benzodiazepin-6-one
- English name
- 10-[3-(Diethylamino)propyl]-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one
- Molecular formula
- C20H25N3O
- Molecular weight
- 323.43
Names & synonyms
4231-97-411H-DIBENZO(b,e)(1,4)DIAZEPIN-11-ONE, 5,10-DIHYDRO-10-(3-(DIETHYLAMINO)PROPYL)-DTXSID90195131RefChem:1057390DTXCID0011762210-(3-(Diethylamino)propyl)-5,10-dihydro-11H-dibenzo(b,e)(1,4)diazepin-11-one10-[3-(diethylamino)propyl]-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-oneBRN 069416910-(3-diethylamino-propyl)-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-one11H-Dibenzo[b,e][1,4]diazepin-11-one, 10-[3-(diethylamino)propyl]-5,10-dihydro-
Database identifiers
- CAS
4231-97-4- PubChem CID
- 20221
- DTXSID
DTXSID90195131- Nikkaji
- J42.198G
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 410
Physicochemical properties
- Boiling point
- 493.2 · 493.2±45.0 °C(Predicted)
- Density
- 1.097 · 1.097±0.06 g/cm3(Predicted)
- pka
- 10.23 · 10.23±0.25(Predicted)
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Compound notes
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