3-(4-morpholinophenyl)-3-oxo-propanenitrile
[CAS# 887591-40-4]

Identification

• Name: 3-(4-morpholinophenyl)-3-oxo-propanenitrile
• Synonyms: 3-(4-MORPHOLIN-4-YL-PHENYL)-3-OXO-PROPIONITRILE; 3-(4-Morpholinophenyl)-3-oxopropanenitrile; MFCD07787044
• Molecular Formula: C₁₃H₁₄N₂O₂
• Molecular Weight: 230.26
• CAS Registry Number: 887591-40-4
• SMILES: c1cc(ccc1C(=O)CC#N)N2CCOCC2
• InChI: 1S/C13H14N2O2/c14-6-5-13(16)11-1-3-12(4-2-11)15-7-9-17-10-8-15/h1-4H,5,7-10H2
• InChIKey: AJYOOGLCCLWWSA-UHFFFAOYSA-N

Properties

• Density: 1.186g/cm³ (Cal.)
• Melting point: 118-120°C (Expl.)
• Boiling point: 472.192°C at 760 mmHg (Cal.)
• Flash point: 239.373°C (Cal.)
• Refractive index: 1.558 (Cal.)

Safety Data

• Safety Description: IRRITANT