2-{[2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)ethyl]amino}nicotinic acid
[CAS# 904815-14-1]

Identification

• Name: 2-{[2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)ethyl]amino}nicotinic acid
• Synonyms: 2-({2-[(tert-Butoxycarbonyl)amino]ethyl}amino)-3-carboxypyridine; 2-({2-[(tert-Butoxycarbonyl)amino]ethyl}amino)pyridine-3-carboxylic acid; 2-({2-[(tert-Butoxycarbonyl)amino]ethyl}amino)pyridine-3-carboxylic acid, 2-({2-[(tert-Butoxycarbonyl)amino]ethyl}amino)-3-carboxypyridine
• Molecular Formula: C₁₃H₁₉N₃O₄
• Molecular Weight: 281.31
• CAS Registry Number: 904815-14-1
• SMILES: O=C(OC(C)(C)C)NCCNc1ncccc1C(=O)O
• InChI: 1S/C13H19N3O4/c1-13(2,3)20-12(19)16-8-7-15-10-9(11(17)18)5-4-6-14-10/h4-6H,7-8H2,1-3H3,(H,14,15)(H,16,19)(H,17,18)
• InChIKey: VKWIEFFVYSCRJL-UHFFFAOYSA-N

Properties

• Density: 1.245g/cm³ (Cal.)
• Boiling point: 497.519°C at 760 mmHg (Cal.)
• Flash point: 254.691°C (Cal.)
• Refractive index: 1.569 (Cal.)

Safety Data

• Safety Description: S24/25,S26,S36/37/39,S45