1-(2-Nitro-4,5-Dimethoxyphenyl)-N,N,N',N'-Tetrakis((Oxycarbonyl)Methyl)-1,2-Ethanediamine
[CAS# 117367-86-9]

Identification

• Name: 1-(2-Nitro-4,5-Dimethoxyphenyl)-N,N,N',N'-Tetrakis((Oxycarbonyl)Methyl)-1,2-Ethanediamine
• Synonyms: 2-[[2-(Bis(Carboxymethyl)Amino)-1-(4,5-Dimethoxy-2-Nitro-Phenyl)Ethyl]-(Carboxymethyl)Amino]Acetic Acid; 2-[[2-(Bis(Carboxymethyl)Amino)-1-(4,5-Dimethoxy-2-Nitro-Phenyl)Ethyl]-(Carboxymethyl)Amino]Ethanoic Acid; Glycine, N,N'-(1-(4,5-Dimethoxy-2-Nitrophenyl)-1,2-Ethanediyl)Bis(N-(Carboxymethyl)-
• Molecular Formula: C₁₈H₂₃N₃O₁₂
• Molecular Weight: 473.39
• CAS Registry Number: 117367-86-9
• SMILES: C1=C(OC)C(=CC(=C1C(N(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O)[N+](=O)[O-])OC
• InChI: 1S/C18H23N3O12/c1-32-13-3-10(11(21(30)31)4-14(13)33-2)12(20(8-17(26)27)9-18(28)29)5-19(6-15(22)23)7-16(24)25/h3-4,12H,5-9H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)(H,28,29)
• InChIKey: FKXGYESXGMKAKC-UHFFFAOYSA-N

Properties

• Density: 1.537g/cm³ (Cal.)
• Boiling point: 806.676°C at 760 mmHg (Cal.)
• Flash point: 441.662°C (Cal.)