(2S,3R,4S)-2-[(Benzylamino)methyl]-3,4-pyrrolidinediol
[CAS# 653571-07-4]

Identification

• Name: (2S,3R,4S)-2-[(Benzylamino)methyl]-3,4-pyrrolidinediol
• Synonyms: (2S,3R,4S)-2-((benzylamino)methyl)pyrrolidine-3,4-diol
• Molecular Formula: C₁₂H₁₈N₂O₂
• Molecular Weight: 222.28
• CAS Registry Number: 653571-07-4
• SMILES: c1ccc(cc1)CNC[C@H]2[C@H]([C@H](CN2)O)O
• InChI: 1S/C12H18N2O2/c15-11-8-14-10(12(11)16)7-13-6-9-4-2-1-3-5-9/h1-5,10-16H,6-8H2/t10-,11-,12+/m0/s1
• InChIKey: SXQQUIDMNYCBEU-SDDRHHMPSA-N

Properties

• Density: 1.196g/cm³ (Cal.)
• Boiling point: 393.554°C at 760 mmHg (Cal.)
• Flash point: 155.072°C (Cal.)
• Refractive index: 1.586 (Cal.)