N'-Benzylisonicotinohydrazide
[CAS 16827-11-5]

Identification

• Name: N'-Benzylisonicotinohydrazide
• Synonyms: 2'-(1-phenylmethyl)isonicotinohydrazide; AIDS055632; AIDS-055632
• Molecular Formula: C₁₃H₁₃N₃O
• Molecular Weight: 227.26
• CAS Registry Number: 16827-11-5
• SMILES: C1=CC=C(C=C1)CNNC(=O)C2=CC=NC=C2
• InChI: 1S/C13H13N3O/c17-13(12-6-8-14-9-7-12)16-15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17)
• InChIKey: QFSUCTHCSKPAGJ-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 372.6±34.0°C at 760 mmHg (Cal.)
• Flash point: 179.1±25.7°C (Cal.)
• Refractive index: 1.602 (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