3-{(1S,2S)-2-[(2-Methyl-2-propanyl)oxy]cyclopentyl}propanenitrile
[CAS# 91222-91-2]

Identification

• Name: 3-{(1S,2S)-2-[(2-Methyl-2-propanyl)oxy]cyclopentyl}propanenitrile
• Synonyms: 3-((1S,2S)-2-(tert-butoxy)cyclopentyl)propanenitrile
• Molecular Formula: C₁₂H₂₁NO
• Molecular Weight: 195.30
• CAS Registry Number: 91222-91-2
• SMILES: CC(C)(C)O[C@H]1CCC[C@H]1CCC#N
• InChI: 1S/C12H21NO/c1-12(2,3)14-11-8-4-6-10(11)7-5-9-13/h10-11H,4-8H2,1-3H3/t10-,11-/m0/s1
• InChIKey: MKFCSFSSOHOGGH-QWRGUYRKSA-N

Properties

• Density: 0.931g/cm³ (Cal.)
• Boiling point: 291.832°C at 760 mmHg (Cal.)
• Flash point: 122.822°C (Cal.)