p-Malonotoluidide
[CAS# 5469-94-3]

Identification

• Name: p-Malonotoluidide
• Synonyms: N,N'-Bis(4-Methylphenyl)Malonamide; Oprea1_707817; Malonanilide Analog
• Molecular Formula: C₁₇H₁₈N₂O₂
• Molecular Weight: 282.34
• CAS Registry Number: 5469-94-3
• SMILES: C2=C(NC(=O)CC(=O)NC1=CC=C(C=C1)C)C=CC(=C2)C
• InChI: 1S/C17H18N2O2/c1-12-3-7-14(8-4-12)18-16(20)11-17(21)19-15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
• InChIKey: CIGKFIJIRVGTGE-UHFFFAOYSA-N

Properties

• Density: 1.214g/cm³ (Cal.)
• Boiling point: 552.685°C at 760 mmHg (Cal.)
• Flash point: 212.157°C (Cal.)

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370