Basic information
- CAS
53153-67-6- Standard SMILES
CCCCCCC(C)=C(C)C#N- InChIKey
FCYCBANDFCFMCL-UHFFFAOYSA-N- Molecular formula
- C11H19N
- Average molar mass
- 165.27 g/mol
- Monoisotopic mass
- 165.15174961
Names & identifiers
- Preferred name
- 2-Nonenenitrile, 2,3-dimethyl-
- IUPAC
- 2,3-dimethylnon-2-enenitrile
Names & synonyms
53153-67-62,3-Dimethyl-2-nonenenitrile2-Nonenenitrile, 2,3-dimethyl-EINECS 258-399-4DTXSID3068831RefChem:88773DTXCID90413662,3-Dimethylnon-2-enenitrileSCHEMBL9729172,3-Dimethyl-2-Nonene NitrileDB-260318NS00012314
Database identifiers
- CAS
53153-67-6- PubChem CID
- 103749
- DTXSID
DTXSID3068831- EC Number
- 258-399-4
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 192
Safety & regulation
Hazard information
Regulatory Information
Chemical: 2-Nonenenitrile, 2,3-dimethyl-
2-Nonenenitrile, 2,3-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Nonenenitrile, 2,3-dimethyl-: Human health tier I assessment
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Nonenenitrile, 2,3-dimethyl-: INACTIVE
Related reactions
4 records
Compound notes
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