6-{[2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)ethyl]amino}nicotinic acid
[CAS# 904815-08-3]

Identification

• Name: 6-{[2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)ethyl]amino}nicotinic acid
• Synonyms: 6-({2-[(tert-Butoxycarbonyl)amino]ethyl}amino)pyridine-3-carboxylic acid, 2-({2-[(tert-Butoxycarbonyl)amino]ethyl}amino)-5-carboxypyridine; 6-(2-tert-Butoxycarbonylaminoethylamino)nicotinic acid; 6-(2-tert-Butoxycarbonylamino-ethylamino)-nicotinic acid
• Molecular Formula: C₁₃H₁₉N₃O₄
• Molecular Weight: 281.31
• CAS Registry Number: 904815-08-3
• SMILES: O=C(OC(C)(C)C)NCCNc1ncc(cc1)C(=O)O
• InChI: 1S/C13H19N3O4/c1-13(2,3)20-12(19)15-7-6-14-10-5-4-9(8-16-10)11(17)18/h4-5,8H,6-7H2,1-3H3,(H,14,16)(H,15,19)(H,17,18)
• InChIKey: IESPTOAZDMOCON-UHFFFAOYSA-N

Properties

• Density: 1.245g/cm³ (Cal.)
• Boiling point: 503.904°C at 760 mmHg (Cal.)
• Flash point: 258.552°C (Cal.)
• Refractive index: 1.569 (Cal.)

Safety Data

• Safety Description: Irritant