4-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Pyrrolidinyl]Benzonitrile
[CAS# 253129-07-6]

Identification

• Name: 4-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Pyrrolidinyl]Benzonitrile
• Molecular Formula: C₁₂H₁₄N₂O₃
• Molecular Weight: 234.25
• CAS Registry Number: 253129-07-6
• SMILES: N#Cc1ccc(cc1)[C@@H]2N[C@H](CO)[C@@H](O)[C@H]2O
• InChI: 1S/C12H14N2O3/c13-5-7-1-3-8(4-2-7)10-12(17)11(16)9(6-15)14-10/h1-4,9-12,14-17H,6H2/t9-,10+,11-,12+/m1/s1
• InChIKey: YXHNAPRFHIQZRC-KXNHARMFSA-N

Properties

• Density: 1.411g/cm³ (Cal.)
• Boiling point: 489.875°C at 760 mmHg (Cal.)
• Flash point: 250.068°C (Cal.)
• Refractive index: 1.65 (Cal.)