3-Amino-2-(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)benzoic acid
[CAS# 904818-03-7]

Identification

• Name: 3-Amino-2-(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)benzoic acid
• Synonyms: 3-amino-2-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}benzoic acid; 4-(2-Amino-6-carboxy-phenyl)-piperazine-1-carboxylic acid tert-butyl ester
• Molecular Formula: C₁₆H₂₃N₃O₄
• Molecular Weight: 321.37
• CAS Registry Number: 904818-03-7
• SMILES: O=C(OC(C)(C)C)N2CCN(c1c(cccc1C(=O)O)N)CC2
• InChI: 1S/C16H23N3O4/c1-16(2,3)23-15(22)19-9-7-18(8-10-19)13-11(14(20)21)5-4-6-12(13)17/h4-6H,7-10,17H2,1-3H3,(H,20,21)
• InChIKey: CHBKMODFHYFFOC-UHFFFAOYSA-N

Properties

• Density: 1.261g/cm³ (Cal.)
• Boiling point: 502.729°C at 760 mmHg (Cal.)
• Flash point: 257.841°C (Cal.)
• Refractive index: 1.59 (Cal.)