3-oxo-3-(4-pyrrolidin-1-ylphenyl)propanenitrile
[CAS# 887595-01-9]

Identification

• Name: 3-oxo-3-(4-pyrrolidin-1-ylphenyl)propanenitrile
• Synonyms: 3-oxo-3-(4-(pyrrolidin-1-yl)phenyl)propanenitrile; 3-OXO-3-(4-PYRROLIDIN-1-YL-PHENYL)-PROPIONITRILE; 3-Oxo-3-[4-(1-pyrrolidinyl)phenyl]propanenitrile
• Molecular Formula: C₁₃H₁₄N₂O
• Molecular Weight: 214.26
• CAS Registry Number: 887595-01-9
• SMILES: c1cc(ccc1C(=O)CC#N)N2CCCC2
• InChI: 1S/C13H14N2O/c14-8-7-13(16)11-3-5-12(6-4-11)15-9-1-2-10-15/h3-6H,1-2,7,9-10H2
• InChIKey: MQEWNXVQQGJDKO-UHFFFAOYSA-N

Properties

• Density: 1.156g/cm³ (Cal.)
• Melting point: 168-170°C (Expl.)
• Boiling point: 438.514°C at 760 mmHg (Cal.)
• Flash point: 219.005°C (Cal.)
• Refractive index: 1.572 (Cal.)

Safety Data

• Safety Description: IRRITANT