Basic information
- CAS
2207-85-4- Standard SMILES
CN(C)CCC[N+]1([O-])c2ccccc2CCc2ccccc21- InChIKey
CADMPLPEJHVVFU-UHFFFAOYSA-N- Molecular formula
- C19H24N2O
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.18886339
Names & identifiers
- Preferred name
- Ditisan (base)
- IUPAC
- N,N-dimethyl-3-(11-oxido-5,6-dihydrobenzo[b][1]benzazepin-11-ium-11-yl)propan-1-amine
- English name
- imipramine N-oxide
- Molecular formula
- C19H24N2O
- Molecular weight
- 296.40666
Names & synonyms
Ditisan (base)2207-85-4N,N-dimethyl-3-(11-oxido-5,6-dihydrobenzo[b][1]benzazepin-11-ium-11-yl)propan-1-amineIPNOSCHEMBL49239DTXSID00944697Imipramine Hydrochloride Impurity 12NSC169424NSC-169424WLN: T C676 BK&T&J BO B3N1&15H-Dibenz[b, 10,11-dihydro-N,N-dimethyl-, 5-oxide5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenzo[b,f]azepine 5-oxide
Show more names
GP-38383Nsc 169424Brn 1653950IMIPRAMINE N-OXIDE10,11-Dihydro-N,N-dimethyl-5H-dibenz[b,f]azepine-5-(1-propanamine)5-oxide5H-Dibenz(B,F)azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl-, 5-oxide5H-Dibenz(B,F)azepine, 5-(3-(dimethylamino)propyl)-10,11-dihydro-, 5-oxide5H-Dibenz(B,F)azepine, 10,11-dihydro-5-(3-(dimethylamino)propyl)-, 5-oxide
5H-Dibenz[b, 10,11-dihydro-5-[3-(dimethylamino)propyl]-, 5-oxide5H-Dibenz[b, 5-[3-(dimethylamino)propyl]-10,11-dihydro-, 5-oxideN,N-Dimethyl-3-(5-oxo-10,11-dihydro-5H-5lambda~5~-dibenzo[b,f]azepin-5-yl)propan-1-amine
Database identifiers
- CAS
2207-85-4- PubChem CID
- 75155
- DTXSID
DTXSID00944697- Nikkaji
- J342.383B
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Melting point
- 121.5 °C · 121.5°C (rough estimate)
- Boiling point
- 438 °C · 438°C (rough estimate)
- Density
- 1.0689 · 1.0689 (rough estimate)
- refractive index
- 1.56 · 1.5600 (estimate)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…