2,4-dimethylbenzohydrazide

• ChemBase ID: 251198
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: c1(C(=O)NN)c(cc(cc1)C)C
• Canonical SMILES: NNC(=O)c1ccc(cc1C)C
• InChI: InChI=1S/C9H12N2O/c1-6-3-4-8(7(2)5-6)9(12)11-10/h3-5H,10H2,1-2H3,(H,11,12)
• InChIKey: NGKSZOHPTXLODW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethylbenzohydrazide
• IUPAC Traditional name: 2,4-dimethylbenzohydrazide
• Synonyms: 2,4-dimethylbenzohydrazide

Database IDs

• CAS Number: 85304-03-6
• MDL Number: MFCD06684183
• PubChem SID: 164307108
• PubChem CID: 4846173

CALCULATED PROPERTIES

• Acid pKa: 15.009388
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5532752
• LogD (pH = 7.4): 1.5542408
• Log P: 1.5542532
• Molar Refractivity: 49.7029 cm^3
• Polarizability: 18.112125 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 127 - 129°C
• Hydrophobicity(logP): 0.923

Product Information

• Purity: 95%