2-{[4-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)butyl]amino}nicotinic acid
[CAS# 904816-11-1]

Identification

• Name: 2-{[4-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)butyl]amino}nicotinic acid
• Synonyms: 2-(4-Tert-Butoxycarbonylamino-butylamino)-nicotinic acid; 2-(4-TERT-BUTOXYCARBONYLAMINO-BUTYLAMINO)-NICOTINICACID; 2-[(4-{[(tert-butoxy)carbonyl]amino}butyl)amino]pyridine-3-carboxylic acid
• Molecular Formula: C₁₅H₂₃N₃O₄
• Molecular Weight: 309.36
• CAS Registry Number: 904816-11-1
• SMILES: O=C(OC(C)(C)C)NCCCCNc1ncccc1C(=O)O
• InChI: 1S/C15H23N3O4/c1-15(2,3)22-14(21)18-9-5-4-8-16-12-11(13(19)20)7-6-10-17-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,17)(H,18,21)(H,19,20)
• InChIKey: ZVDGSWORVIILDO-UHFFFAOYSA-N

Properties

• Density: 1.194g/cm³ (Cal.)
• Boiling point: 521.365°C at 760 mmHg (Cal.)
• Flash point: 269.112°C (Cal.)
• Refractive index: 1.556 (Cal.)