Pentanenitrile, 2-[(1-cyano-3-methylbutyl)azo]-2-methyl-
Basic information
- CAS
15457-18-8- Standard SMILES
CCCC(C)(C#N)N=NC(C#N)CC(C)C- InChIKey
CVLPHLARBKIAPB-UHFFFAOYSA-N- Molecular formula
- C12H20N4
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.16879665
Names & identifiers
- Preferred name
- Pentanenitrile, 2-[(1-cyano-3-methylbutyl)azo]-2-methyl-
- IUPAC
- 2-[(1-cyano-3-methylbutyl)diazenyl]-2-methylpentanenitrile
- English name
- 2,4'-dimethyl-2,2'-azodivaleronitrile
- Molecular formula
- C12H20N4
- Molecular weight
- 220.314
Names & synonyms
15457-18-8Pentanenitrile, 2-[(1-cyano-3-methylbutyl)azo]-2-methyl-Pentanenitrile, 2-((1-cyano-3-methylbutyl)azo)-2-methyl-RefChem:3681372-[(1-cyano-3-methylbutyl)diazenyl]-2-methylpentanenitrileEINECS 239-475-62,4'-Dimethyl-2,2'-azodivaleronitrile2,4/'-Dimethyl-2,2/'-azodivaleronitrileSCHEMBL28551706CVLPHLARBKIAPB-UHFFFAOYSA-NDTXSID001201815NS00052028
Show more names
2,4'-Dimethyl[2,2'-azobispentanenitrile]Pentanenitrile, 2-[(1-cyano-3-methylbutyl)azo]-2-methyl- (9CI)
Database identifiers
- CAS
15457-18-8- PubChem CID
- 85850
- DTXSID
DTXSID001201815- EC Number
- 239-475-6
- Nikkaji
- J317.923K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Boiling point
- 307.6 · 307.6±27.0 °C(Predicted)
- Density
- 0.95 · 0.95±0.1 g/cm3(Predicted)
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
Regulatory InformationChemical: Valeronitrile, 2,4'-dimethyl-2,2'-azodi-
Other Safety InformationIMAP assessments - Valeronitrile, 2,4'-dimethyl-2,2'-azodi-: Human health tier I assessment
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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