[S(R*,R*)]-2-(Benzylideneamino)-1-(4-Nitrophenyl)Propane-1,3-Diol
[CAS# 40830-68-0]

Identification

• Name: [S(R*,R*)]-2-(Benzylideneamino)-1-(4-Nitrophenyl)Propane-1,3-Diol
• Synonyms: (1S,2S)-1-(4-Nitrophenyl)-2-(Phenylmethyleneamino)Propane-1,3-Diol; (1S,2S)-2-(Benzylideneamino)-1-(4-Nitrophenyl)Propane-1,3-Diol
• Molecular Formula: C₁₆H₁₆N₂O₄
• Molecular Weight: 300.31
• CAS Registry Number: 40830-68-0
• EINECS: 255-097-4
• SMILES: [C@H](O)(C1=CC=C([N+]([O-])=O)C=C1)[C@@H](N=CC2=CC=CC=C2)CO
• InChI: 1S/C16H16N2O4/c19-11-15(17-10-12-4-2-1-3-5-12)16(20)13-6-8-14(9-7-13)18(21)22/h1-10,15-16,19-20H,11H2/t15-,16-/m0/s1
• InChIKey: AIPCTGYIYJYHIJ-HOTGVXAUSA-N

Properties

• Density: 1.263g/cm³ (Cal.)
• Boiling point: 538.428°C at 760 mmHg (Cal.)
• Flash point: 279.432°C (Cal.)