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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 175296Generated: November 4, 2026

3-Cyclohexene-1-carbonitrile, 3-methyl-2-(3-methyl-2-buten-1-yl)-

3-Methyl-2-(3-methyl-2-butenyl)-3-cyclohexene-1-carbonitrile · 3-methyl-2-(3-methylbuten-2-yl)cyclohex-3-ene-1-carbonitrile · 3-Cyclohexene-1-carbonitrile, 3-methyl-2-(3-methyl-2-buten-1-yl)-

https://huagongshe.com/en/chemical/175296

3-Cyclohexene-1-carbonitrile, 3-methyl-2-(3-methyl-2-buten-1-yl)- molecular structure

Identifiers & Physical Properties

CAS No.72928-22-4
Molecular formulaC13H19N
Average molar mass189.3 g/mol
Monoisotopic mass189.15174961 g/mol
SMILESCC(C)=CCC1C(C)=CCCC1C#N
InChIKeyZBXFOQKBMBNMBD-UHFFFAOYSA-N
PubChem CID175296
EC No.277-055-4
DTXSIDDTXSID40888309

Chemical & Physical Properties

XLogP3.1
Topological polar surface area23.8
Hydrogen bond donors0
Hydrogen bond acceptors1
Rotatable bonds2
Heavy atoms14
Formal charge0
Complexity296
EPA Substance Registry System3-Cyclohexene-1-carbonitrile, 3-methyl-2-(3-methyl-2-butenyl)- (72928-22-4)
TSCA inventory statusTSCA listed

Safety & Regulations

TSCA inventory statusTSCA listed