1-Isopropyl-2,4,6-cycloheptatriene-1-carbonitrile
[CAS# 79574-42-8]

Identification

• Name: 1-Isopropyl-2,4,6-cycloheptatriene-1-carbonitrile
• Synonyms: 1-isopropylcyclohepta-2,4,6-trienecarbonitrile
• Molecular Formula: C₁₁H₁₃N
• Molecular Weight: 159.23
• CAS Registry Number: 79574-42-8
• SMILES: CC(C)C1(C=CC=CC=C1)C#N
• InChI: 1S/C11H13N/c1-10(2)11(9-12)7-5-3-4-6-8-11/h3-8,10H,1-2H3
• InChIKey: HKMOBMQMDHFHEE-UHFFFAOYSA-N

Properties

• Density: 0.956g/cm³ (Cal.)
• Boiling point: 269.909°C at 760 mmHg (Cal.)
• Flash point: 97.177°C (Cal.)