2,6-Dimethyl-1,4-dinitrosopiperazine
Basic information
- CAS
55380-34-2- Standard SMILES
CC1CN(N=O)CC(C)N1N=O- InChIKey
JIWAGFGPBKDFQN-UHFFFAOYSA-N- Molecular formula
- C6H12N4O2
- Average molar mass
- 172.19 g/mol
- Monoisotopic mass
- 172.09602564
Names & identifiers
- Preferred name
- 2,6-Dimethyl-1,4-dinitrosopiperazine
- IUPAC
- 2,6-dimethyl-1,4-dinitrosopiperazine
- English name
- Piperazine, 2,6-dimethyl-1,4-dinitroso- (9CI)
- Molecular formula
- C6H12N4O2
- Molecular weight
- 172.19
Names & synonyms
2,6-Dimethyl-1,4-dinitrosopiperazineDndmp55380-34-22,6-DimethyldinitrosopiperazinePIPERAZINE, 2,6-DIMETHYL-1,4-DINITROSO-8P7FYE3F7KRefChem:833171,4-Dinitroso-2,6-dimethylpiperazine2,6-Dimethyl-dnpzDinitroso-2,6-dimethylpiperazineN,N'-Dinitroso-2,6-dimethylpiperazineCHEMBL348953
Show more names
Piperazine, 2,6-dimethyl-1,4-dinitroso- (9CI)
SCHEMBL2344953DTXSID0021468JIWAGFGPBKDFQN-UHFFFAOYSA-NAKOS0062771192,6-Dimethyl-1,4-dinitrosopiperazine #DB-327237
Database identifiers
- CAS
55380-34-2- PubChem CID
- 41432
- DTXSID
DTXSID0021468- ChEMBL
CHEMBL348953- UNII
- 8P7FYE3F7K
- Nikkaji
- J1.071E
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrosamines
LogP0.08
Vapor Pressure0.000059 [mmHg]
Physicochemical properties
- Boiling point
- 373.8 · 373.8±35.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- -5.06 · -5.06±0.70(Predicted)
- Water Solubility
- 20.66 g/L · 20.66g/L(24 ºC)
- Henry's Law Constant
- 1.9 · 1.9×102 mol/(m3Pa) at 25℃, Mirvish et al. (1976)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee NITROSAMINES.
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Related reactions
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Compound notes
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