(2S,3S,4R)-2-(2-Anilinoethyl)-3,4-pyrrolidinediol
[CAS# 653571-05-2]

Identification

• Name: (2S,3S,4R)-2-(2-Anilinoethyl)-3,4-pyrrolidinediol
• Synonyms: (2S,3S,4R)-2-(2-(phenylamino)ethyl)pyrrolidine-3,4-diol
• Molecular Formula: C₁₂H₁₈N₂O₂
• Molecular Weight: 222.28
• CAS Registry Number: 653571-05-2
• SMILES: c1ccc(cc1)NCC[C@H]2[C@@H]([C@@H](CN2)O)O
• InChI: 1S/C12H18N2O2/c15-11-8-14-10(12(11)16)6-7-13-9-4-2-1-3-5-9/h1-5,10-16H,6-8H2/t10-,11+,12-/m0/s1
• InChIKey: HAOLJUHRPKTQFK-TUAOUCFPSA-N

Properties

• Density: 1.234g/cm³ (Cal.)
• Boiling point: 424.804°C at 760 mmHg (Cal.)
• Flash point: 176.643°C (Cal.)
• Refractive index: 1.623 (Cal.)