Basic information
- CAS
55912-19-1- Standard SMILES
CCC(C)(C)N=NC1(C#N)CCCCC1- InChIKey
UXKQGJYFPNFUJY-UHFFFAOYSA-N- Molecular formula
- C12H21N3
- Average molar mass
- 207.32 g/mol
- Monoisotopic mass
- 207.17354768
Names & identifiers
- Preferred name
- 1-[2-(1,1-Dimethylpropyl)diazenyl]cyclohexanecarbonitrile
- IUPAC
- 1-(2-methylbutan-2-yldiazenyl)cyclohexane-1-carbonitrile
- English name
- 1-[(1,1-dimethylpropyl)azo]cyclohexanecarbonitrile
- Molecular formula
- C12H21N3
- Molecular weight
- 207.32
Names & synonyms
55912-19-11-(2-(1,1-DIMETHYLPROPYL)DIAZENYL)CYCLOHEXANECARBONITRILE1-[2-(1,1-Dimethylpropyl)diazenyl]cyclohexanecarbonitrileRefChem:1969001-((1,1-Dimethylpropyl)azo)cyclohexanecarbonitrileW5D7N259BZCyclohexanecarbonitrile, 1-((1,1-dimethylpropyl)azo)-Cyclohexanecarbonitrile, 1-[(1,1-dimethylpropyl)azo]-Cyclohexanecarbonitrile, 1-(2-(1,1-dimethylpropyl)diazenyl)-EINECS 259-900-9UNII-W5D7N259BZSCHEMBL297650
Show more names
1-[(1,1-dimethylpropyl)azo]cyclohexanecarbonitrile
SCHEMBL297651DTXSID80690661-(2-methylbutan-2-yldiazenyl)cyclohexane-1-carbonitrile1-(t-amylazo)cyclohexanecarbonitrileNS000334241-[(2-Methylbutan-2-yl)diazenyl]cyclohexane-1-carbonitrile
Database identifiers
- CAS
55912-19-1- PubChem CID
- 91932
- DTXSID
DTXSID8069066- UNII
- W5D7N259BZ
- EC Number
- 259-900-9
- Nikkaji
- J296.527E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Boiling point
- 307.8 · 307.8±21.0 °C(Predicted)
- Density
- 0.97 · 0.97±0.1 g/cm3(Predicted)
- FDA UNII
- 5 D7N259BZ · W5D7N259BZ
- EPA Substance Registry System
- 1 · Cyclohexanecarbonitrile, 1-[(1,1-dimethylpropyl)azo]- (55912-19-1)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanecarbonitrile, 1-[2-(1,1-dimethylpropyl)diazenyl]-: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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