(1R,3aS,7aR)-Octahydro-1H-isoindole-1-carbonitrile
[CAS# 96798-41-3]

Identification

• Name: (1R,3aS,7aR)-Octahydro-1H-isoindole-1-carbonitrile
• Synonyms: (1R,3aS,7aR)-octahydro-1H-isoindole-1-carbonitrile
• Molecular Formula: C₉H₁₄N₂
• Molecular Weight: 150.22
• CAS Registry Number: 96798-41-3
• SMILES: C1CC[C@@H]2[C@H](C1)CN[C@H]2C#N
• InChI: 1S/C9H14N2/c10-5-9-8-4-2-1-3-7(8)6-11-9/h7-9,11H,1-4,6H2/t7-,8-,9+/m1/s1
• InChIKey: ZMEKGKIURYUKGF-HLTSFMKQSA-N

Properties

• Density: 1.047g/cm³ (Cal.)
• Boiling point: 284.833°C at 760 mmHg (Cal.)
• Flash point: 126.063°C (Cal.)