1-N',2-N'-bis(phenylmethylidene)ethanedihydrazide

• ChemBase ID: 158579
• Molecular Formular: C16H14N4O2
• Molecular Mass: 294.30796
• Monoisotopic Mass: 294.11167571
• SMILES: c1ccc(cc1)/C=N/NC(=O)C(=O)N/N=C/c1ccccc1
• Canonical SMILES: O=C(C(=O)N/N=C/c1ccccc1)N/N=C/c1ccccc1
• InChI: InChI=1S/C16H14N4O2/c21-15(19-17-11-13-7-3-1-4-8-13)16(22)20-18-12-14-9-5-2-6-10-14/h1-12H,(H,19,21)(H,20,22)
• InChIKey: GTIBACHAUHDNPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N',2-N'-bis(phenylmethylidene)ethanedihydrazide
• IUPAC Traditional name: 1-N',2-N'-bis(phenylmethylidene)ethanedihydrazide
• Synonyms: Oxalic bis(benzylidenehydrazide)

Database IDs

• CAS Number: 6629-10-3
• EC Number: 229-617-5
• MDL Number: MFCD00082570
• PubChem SID: 162252715; 24862922
• PubChem CID: 6861531

CALCULATED PROPERTIES

• Acid pKa: 10.603434
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.4007425
• LogD (pH = 7.4): 2.4006183
• Log P: 2.4008605
• Molar Refractivity: 84.2812 cm^3
• Polarizability: 31.140163 Å^3
• Polar Surface Area: 82.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Purity: 98%
• Linear Formula: [-CONHN=CHC6H5]2