4-methyl-N'-(4-methylbenzoyl)benzohydrazide

• ChemBase ID: 295559
• Molecular Formular: C16H16N2O2
• Molecular Mass: 268.31044
• Monoisotopic Mass: 268.12117776
• SMILES: c1(ccc(cc1)C(=O)NNC(=O)c1ccc(cc1)C)C
• Canonical SMILES: O=C(c1ccc(cc1)C)NNC(=O)c1ccc(cc1)C
• InChI: InChI=1S/C16H16N2O2/c1-11-3-7-13(8-4-11)15(19)17-18-16(20)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,17,19)(H,18,20)
• InChIKey: SWVLEZBOJRWRJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-N'-(4-methylbenzoyl)benzohydrazide
• IUPAC Traditional name: 4-methyl-N'-(4-methylbenzoyl)benzohydrazide
• Synonyms: N,N'-Bis(p-toluoyl)hydrazine; N,N'-双(对甲苯酰)肼

Database IDs

• CAS Number: 1530-73-0
• EC Number: 216-232-2
• MDL Number: MFCD00429172
• PubChem SID: 180681090
• PubChem CID: 73735

CALCULATED PROPERTIES

• Acid pKa: 13.828749
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.115454
• LogD (pH = 7.4): 3.1154537
• Log P: 3.115454
• Molar Refractivity: 78.7552 cm^3
• Polarizability: 29.110786 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A