2-{[3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)propyl]amino}nicotinic acid
[CAS# 904816-06-4]

Identification

• Name: 2-{[3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)propyl]amino}nicotinic acid
• Synonyms: 2-(3-tert-Butoxycarbonylamino-propylamino)-nicotinic acid; 2-(3-TERT-BUTOXYCARBONYLAMINO-PROPYLAMINO)-NICOTINICACID; 2-[(3-{[(tert-butoxy)carbonyl]amino}propyl)amino]pyridine-3-carboxylic acid
• Molecular Formula: C₁₄H₂₁N₃O₄
• Molecular Weight: 295.33
• CAS Registry Number: 904816-06-4
• SMILES: O=C(OC(C)(C)C)NCCCNc1ncccc1C(=O)O
• InChI: 1S/C14H21N3O4/c1-14(2,3)21-13(20)17-9-5-8-16-11-10(12(18)19)6-4-7-15-11/h4,6-7H,5,8-9H2,1-3H3,(H,15,16)(H,17,20)(H,18,19)
• InChIKey: ORFWQIGYRWNJSS-UHFFFAOYSA-N

Properties

• Density: 1.218g/cm³ (Cal.)
• Boiling point: 509.229°C at 760 mmHg (Cal.)
• Flash point: 261.772°C (Cal.)
• Refractive index: 1.562 (Cal.)