Bis(2,4-Dinitrophenyl)-L-Histidine
[CAS 3129-33-7]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Histidine derivative
• Name: Bis(2,4-Dinitrophenyl)-L-Histidine
• Synonyms: 2-[(2,4-Dinitrophenyl)Amino]-3-[1-(2,4-Dinitrophenyl)-4-Imidazolyl]Propanoic Acid; 2-[(2,4-Dinitrophenyl)Amino]-3-[1-(2,4-Dinitrophenyl)Imidazol-4-Yl]Propionic Acid; D9629_Sigma
• Molecular Formula: C₁₈H₁₃N₇O₁₀
• Molecular Weight: 487.34
• CAS Registry Number: 3129-33-7
• SMILES: C1=CC(=CC(=C1[N]3C=C(CC(NC2=C(C=C([N+](=O)[O-])C=C2)[N+](=O)[O-])C(O)=O)N=C3)[N+](=O)[O-])[N+](=O)[O-]
• InChI: 1S/C18H13N7O10/c26-18(27)14(20-13-3-1-11(22(28)29)6-16(13)24(32)33)5-10-8-21(9-19-10)15-4-2-12(23(30)31)7-17(15)25(34)35/h1-4,6-9,14,20H,5H2,(H,26,27)
• InChIKey: WOZYZMUUGRWSLF-UHFFFAOYSA-N

Properties

• Density: 1.788g/cm³ (Cal.)
• Boiling point: 814.127°C at 760 mmHg (Cal.)
• Flash point: 446.168°C (Cal.)