6-[(2,2-Dimethylpropanoyl)amino]nicotinic acid
[CAS# 898561-66-5]

Identification

• Name: 6-[(2,2-Dimethylpropanoyl)amino]nicotinic acid
• Synonyms: 6-(2,2-Dimethyl-propionylamino)-nicotinic acid; 6-(2,2-DIMETHYL-PROPIONYLAMINO)-NICOTINICACID; MFCD08457782
• Molecular Formula: C₁₁H₁₄N₂O₃
• Molecular Weight: 222.24
• CAS Registry Number: 898561-66-5
• SMILES: O=C(Nc1ccc(cn1)C(O)=O)C(C)(C)C
• InChI: 1S/C11H14N2O3/c1-11(2,3)10(16)13-8-5-4-7(6-12-8)9(14)15/h4-6H,1-3H3,(H,14,15)(H,12,13,16)
• InChIKey: QCCYRUYZQOXLGV-UHFFFAOYSA-N

Properties

• Density: 1.25g/cm³ (Cal.)
• Boiling point: 462.903°C at 760 mmHg (Cal.)
• Flash point: 233.756°C (Cal.)
• Refractive index: 1.582 (Cal.)

Safety Data

• Safety Description: IRRITANT