1,4-Bis(4-nitrosophenyl)piperazine
Basic information
- CAS
4963-30-8- Standard SMILES
O=Nc1ccc(N2CCN(c3ccc(N=O)cc3)CC2)cc1- InChIKey
FHBCYOPBRVSSCN-UHFFFAOYSA-N- Molecular formula
- C16H16N4O2
- Average molar mass
- 296.32 g/mol
- Monoisotopic mass
- 296.12732577
Names & identifiers
- Preferred name
- 1,4-Bis(4-nitrosophenyl)piperazine
- IUPAC
- 1,4-bis(4-nitrosophenyl)piperazine
- English name
- 1,4-bis(4-nitrosophenyl)piperazine
- Molecular formula
- C16H16N4O2
- Molecular weight
- 296.32
Names & synonyms
1,4-Bis(4-nitrosophenyl)piperazinePiperazine, 1,4-bis(4-nitrosophenyl)-EINECS 225-605-9282Y6K78S7DTXSID0063658RefChem:73130DTXCID9040710225-605-94963-30-8UNII-282Y6K78S7FHBCYOPBRVSSCN-UHFFFAOYSA-NNS00031922
Database identifiers
- CAS
4963-30-8- PubChem CID
- 78665
- DTXSID
DTXSID0063658- UNII
- 282Y6K78S7
- EC Number
- 225-605-9
- Nikkaji
- J203.209K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Boiling point
- 519.5 · 519.5±50.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- -0.34 · -0.34±0.40(Predicted)
- FDA UNII
- 282 Y6K78S7 · 282Y6K78S7
- EPA Substance Registry System
- 1 · Piperazine, 1,4-bis(4-nitrosophenyl)- (4963-30-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPiperazine, 1,4-bis(4-nitrosophenyl)-: INACTIVE
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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