5-[(2,2-Dimethylpropanoyl)amino]nicotinic acid
[CAS# 879326-77-9]

Identification

• Name: 5-[(2,2-Dimethylpropanoyl)amino]nicotinic acid
• Synonyms: 5-(2,2-Dimethyl-propionylamino)-nicotinic acid; 5-(2,2-Dimethylpropionylamino)nicotinicacid; MFCD08235140
• Molecular Formula: C₁₁H₁₄N₂O₃
• Molecular Weight: 222.24
• CAS Registry Number: 879326-77-9
• SMILES: O=C(Nc1cc(cnc1)C(O)=O)C(C)(C)C
• InChI: 1S/C11H14N2O3/c1-11(2,3)10(16)13-8-4-7(9(14)15)5-12-6-8/h4-6H,1-3H3,(H,13,16)(H,14,15)
• InChIKey: VHYYHNBAUXHABM-UHFFFAOYSA-N

Properties

• Density: 1.25g/cm³ (Cal.)
• Boiling point: 453.767°C at 760 mmHg (Cal.)
• Flash point: 228.23°C (Cal.)
• Refractive index: 1.582 (Cal.)

Safety Data

• Safety Description: IRRITANT