Basic information
- CAS
77533-92-7- Standard SMILES
CN(C)CCCN1c2ccccc2CCc2cc([N+](=O)[O-])ccc21- InChIKey
JYLKYRDTRZHXAJ-UHFFFAOYSA-N- Molecular formula
- C19H23N3O2
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.17902698
Names & identifiers
- Preferred name
- 2-Nitroimipramine
- IUPAC
- N,N-dimethyl-3-(3-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine
- English name
- 2-nitroimipramine
- Molecular formula
- C19H23N3O2
- Molecular weight
- 325.40482
Names & synonyms
2-Nitroimipramine77533-92-7DTXSID902282365H-Dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl-2-nitro-RefChem:88728DTXCID10150727N,N-dimethyl-3-(3-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amineSCHEMBL3998622CHEMBL2007738Nitroimipramine, >98% (HPLC)JYLKYRDTRZHXAJ-UHFFFAOYSA-NNCI60_039902
Show more names
NCI60_040319N,N-dimethyl-3-(2-nitro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propan-1-amine
Database identifiers
- CAS
77533-92-7- PubChem CID
- 196045
- DTXSID
DTXSID90228236- ChEMBL
CHEMBL2007738- Nikkaji
- J2.326.039E
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 423
Related reactions
4 records
Compound notes
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