Methyl 2-cyano-2-(1-cyclohepten-1-yl)butanoate
[CAS# 84803-64-5]

Identification

• Name: Methyl 2-cyano-2-(1-cyclohepten-1-yl)butanoate
• Synonyms: methyl α-cyano-α-ethyl-1-cyclohepten-1-acetate
• Molecular Formula: C₁₃H₁₉NO₂
• Molecular Weight: 221.30
• CAS Registry Number: 84803-64-5
• EINECS: 284-191-8
• SMILES: COC(=O)C(CC)(C#N)C=1CCCCCC=1
• InChI: 1S/C13H19NO2/c1-3-13(10-14,12(15)16-2)11-8-6-4-5-7-9-11/h8H,3-7,9H2,1-2H3
• InChIKey: VYFVOYXLQYHQFL-UHFFFAOYSA-N

Properties

• Density: 1.046g/cm³ (Cal.)
• Boiling point: 323.093°C at 760 mmHg (Cal.)
• Flash point: 151.624°C (Cal.)