2,8-Dinitroimipramine
Basic information
- CAS
80186-88-5- Standard SMILES
CN(C)CCCN1c2ccc([N+](=O)[O-])cc2CCc2cc([N+](=O)[O-])ccc21- InChIKey
MKXUVDRBPODBNG-UHFFFAOYSA-N- Molecular formula
- C19H22N4O4
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.1641052
Overview
3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine is a C-nitro compound, a dibenzoazepine and a tertiary amino compound.
Names & identifiers
- Preferred name
- 2,8-Dinitroimipramine
- IUPAC
- 3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
- English name
- 2,8-dinitroimipramine
- Molecular formula
- C19H22N4O4
- Molecular weight
- 370.4
Names & synonyms
2,8-Dinitroimipramine80186-88-5DTXSID402301425H-Dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl-2,8-dinitro-RefChem:83590DTXCID401526333-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amineNCI60_039900MLS001060850CHEMBL1555712CHEBI:92280HMS2209F23
Show more names
5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl-2,8-dinitro-
HMS3352P08NCI60_040318SMR000486302MLS-0317362.0001AB00696991-06Q271640403-(2,8-Dinitro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine
Database identifiers
- CAS
80186-88-5- PubChem CID
- 133407
- DTXSID
DTXSID40230142- ChEMBL
CHEMBL1555712- ChEBI
CHEBI:92280
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 493
Chemistry & industry
Additional notes
DefinitionChEBI: 3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine is a dibenzoazepine, a C-nitro compound and a tertiary amino compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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