4-(3,5-Dinitrobenzoyl)piperazine-1-carbaldehyde
Basic information
- CAS
1024146-22-2- Standard SMILES
O=CN1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1- InChIKey
ZREANRQVQYXVIV-UHFFFAOYSA-N- Molecular formula
- C12H12N4O6
- Average molar mass
- 308.25 g/mol
Names & identifiers
- Preferred name
- 4-(3,5-Dinitrobenzoyl)piperazine-1-carbaldehyde
- IUPAC
- 4-(3,5-dinitrobenzoyl)piperazine-1-carbaldehyde
- English name
- 4-((3,5-Dinitrophenyl)carbonyl)piperazinecarbaldehyde
- Molecular formula
- C12H12N4O6
- Molecular weight
- 308.25
Names & synonyms
4-(3,5-dinitrobenzoyl)piperazine-1-carbaldehyde1024146-22-24-((3,5-DINITROPHENYL)CARBONYL)PIPERAZINECARBALDEHYDEMFCD02662302C12H12N4O6ZQB14622AKOS016610154MS-100281-Piperazinecarboxaldehyde, 4-(3,5-dinitrobenzoyl)-
Database identifiers
- CAS
1024146-22-2
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 443
Physicochemical properties
- Boiling point
- 567.8 · 567.8±50.0 °C(Predicted)
- Density
- 1.573 · 1.573±0.06 g/cm3(Predicted)
- pka
- 0.57 · 0.57±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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