4-(4-((((Dimethylamino)Carbonyl)Methylamino)Carbonyl)-1- Piperazinyl)-Benzoic Acid Hydrate (4:1)
[CAS# 80712-35-2]

Identification

• Name: 4-(4-((((Dimethylamino)Carbonyl)Methylamino)Carbonyl)-1- Piperazinyl)-Benzoic Acid Hydrate (4:1)
• Synonyms: 4-[4-(Dimethylcarbamoyl-Methyl-Carbamoyl)Piperazin-1-Yl]Benzoic Acid; 4-[4-[[(Dimethylamino-Oxomethyl)-Methylamino]-Oxomethyl]-1-Piperazinyl]Benzoic Acid; 1-(4-Carboxyphenyl)-4-(2,4,4-Trimethylallophanoyl)Piperazine Hydrate (4:1)
• Molecular Formula: C₁₆H₂₂N₄O₄
• Molecular Weight: 334.37
• CAS Registry Number: 80712-35-2
• SMILES: C1=CC(=CC=C1C(=O)O)N2CCN(CC2)C(=O)N(C)C(=O)N(C)C
• InChI: 1S/C16H22N4O4/c1-17(2)15(23)18(3)16(24)20-10-8-19(9-11-20)13-6-4-12(5-7-13)14(21)22/h4-7H,8-11H2,1-3H3,(H,21,22)
• InChIKey: YOOFTFYXWHMXQR-UHFFFAOYSA-N

Properties

• Density: 1.298g/cm³ (Cal.)
• Boiling point: 519.799°C at 760 mmHg (Cal.)
• Flash point: 268.165°C (Cal.)