3,4-dimethylbenzohydrazide

• ChemBase ID: 306445
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: C(=O)(c1cc(c(cc1)C)C)NN
• Canonical SMILES: NNC(=O)c1ccc(c(c1)C)C
• InChI: InChI=1S/C9H12N2O/c1-6-3-4-8(5-7(6)2)9(12)11-10/h3-5H,10H2,1-2H3,(H,11,12)
• InChIKey: HLRJRJKXLKZPKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dimethylbenzohydrazide
• IUPAC Traditional name: 3,4-dimethylbenzohydrazide
• Synonyms: 3,4-dimethylbenzohydrazide

Database IDs

• CAS Number: 42596-61-2
• MDL Number: MFCD01357033

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5533053
• LogD (pH = 7.4): 1.5542412
• Log P: 1.5542532
• Molar Refractivity: 49.7029 cm^3
• Polarizability: 18.111101 Å^3
• Polar Surface Area: 55.12 Å^2