N-(4-Nitrophenyl)Valienamine
[CAS# 92587-08-1]

Identification

• Name: N-(4-Nitrophenyl)Valienamine
• Synonyms: (2R,5S,6S)-2,6-Dihydroxy-3-(Hydroxymethyl)-5-[(4-Nitrophenyl)Amino]-1-Cyclohex-3-Enone; (2R,5S,6S)-2,6-Dihydroxy-3-Methylol-5-[(4-Nitrophenyl)Amino]Cyclohex-3-En-1-One; 3-Cyclohexen-1-One, 2,6-Dihydroxy-3-(Hydroxymethyl)-5-((4-Nitrophenyl)Amino)-, (2R-(2Alp
• Molecular Formula: C₁₃H₁₄N₂O₆
• Molecular Weight: 294.26
• CAS Registry Number: 92587-08-1
• SMILES: [C@@H]2(NC1=CC=C([N+]([O-])=O)C=C1)[C@H](O)C(=O)[C@H](O)C(=C2)CO
• InChI: 1S/C13H14N2O6/c16-6-7-5-10(12(18)13(19)11(7)17)14-8-1-3-9(4-2-8)15(20)21/h1-5,10-12,14,16-18H,6H2/t10-,11+,12-/m0/s1
• InChIKey: MSMFDSDKVJHLJB-TUAOUCFPSA-N

Properties

• Density: 1.603g/cm³ (Cal.)
• Boiling point: 639.07°C at 760 mmHg (Cal.)
• Flash point: 340.297°C (Cal.)