(1R,2R)-2-(Dimethylamino)-1-(4-Nitrophenyl)-1,3-Propanediol
[CAS# 18867-45-3]

Identification

• Name: (1R,2R)-2-(Dimethylamino)-1-(4-Nitrophenyl)-1,3-Propanediol
• Synonyms: (1R,2R)-2-(N,N-Dimethylamino)-1-(p-nitrophenyl)-1,3-propanediol; TL8001533
• Molecular Formula: C₁₁H₁₆N₂O₄
• Molecular Weight: 240.26
• CAS Registry Number: 18867-45-3
• SMILES: [O-][N+](=O)c1ccc(cc1)[C@@H](O)[C@H](N(C)C)CO
• InChI: 1S/C11H16N2O4/c1-12(2)10(7-14)11(15)8-3-5-9(6-4-8)13(16)17/h3-6,10-11,14-15H,7H2,1-2H3/t10-,11-/m1/s1
• InChIKey: WKFXOUSFZMOKOH-GHMZBOCLSA-N

Properties

• Density: 1.285g/cm³ (Cal.)
• Boiling point: 418.585°C at 760 mmHg (Cal.)
• Flash point: 206.953°C (Cal.)
• Refractive index: 1.589 (Cal.)