(3R,4R,5S)-3-(2-Hydroxyethyl)-5-methyl-4-phenyl-2-pyrrolidinone
[CAS# 811445-48-4]

Identification

• Name: (3R,4R,5S)-3-(2-Hydroxyethyl)-5-methyl-4-phenyl-2-pyrrolidinone
• Synonyms: (3R,4R,5S)-3-(2-hydroxyethyl)-5-methyl-4-phenylpyrrolidin-2-one
• Molecular Formula: C₁₃H₁₇NO₂
• Molecular Weight: 219.28
• CAS Registry Number: 811445-48-4
• SMILES: C[C@H]1[C@H]([C@H](C(=O)N1)CCO)C2=CC=CC=C2
• InChI: 1S/C13H17NO2/c1-9-12(10-5-3-2-4-6-10)11(7-8-15)13(16)14-9/h2-6,9,11-12,15H,7-8H2,1H3,(H,14,16)/t9-,11+,12-/m0/s1
• InChIKey: VVFVWQBHDRUNAL-WCQGTBRESA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 434.6±38.0°C at 760 mmHg (Cal.)
• Flash point: 216.6±26.8°C (Cal.)
• Refractive index: 1.53 (Cal.)