Basic information
- CAS
72928-22-4- Standard SMILES
CC(C)=CCC1C(C)=CCCC1C#N- InChIKey
ZBXFOQKBMBNMBD-UHFFFAOYSA-N- Molecular formula
- C13H19N
- Average molar mass
- 189.3 g/mol
- Monoisotopic mass
- 189.15174961
Names & identifiers
- Preferred name
- 3-Cyclohexene-1-carbonitrile, 3-methyl-2-(3-methyl-2-buten-1-yl)-
- IUPAC
- 3-methyl-2-(3-methylbut-2-enyl)cyclohex-3-ene-1-carbonitrile
- English name
- 3-methyl-2-(3-methylbuten-2-yl)cyclohex-3-ene-1-carbonitrile
- Molecular formula
- C13H19N
- Molecular weight
- 189.3
Names & synonyms
72928-22-4EINECS 277-055-43-Cyclohexene-1-carbonitrile, 3-methyl-2-(3-methyl-2-butenyl)-DTXSID408883093-Methyl-2-(3-methyl-2-butenyl)-3-cyclohexene-1-carbonitrile3-Cyclohexene-1-carbonitrile, 3-methyl-2-(3-methyl-2-buten-1-yl)-RefChem:500717DTXCID101027589ZBXFOQKBMBNMBD-UHFFFAOYSA-N3-Methyl-2-(3-methylbuten-2-yl)cyclohex-3-ene-1-carbonitrile3-METHYL-2-(3-METHYLBUT-2-EN-1-YL)CYCLOHEX-3-ENE-1-CARBONITRILE
Database identifiers
- CAS
72928-22-4- PubChem CID
- 175296
- DTXSID
DTXSID40888309- EC Number
- 277-055-4
- Nikkaji
- J296.394I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- EPA Substance Registry System
- 3 · 3-Cyclohexene-1-carbonitrile, 3-methyl-2-(3-methyl-2-butenyl)- (72928-22-4)
- 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 Information3-Cyclohexene-1-carbonitrile, 3-methyl-2-(3-methyl-2-buten-1-yl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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