2-(4-methylphenyl)acetohydrazide

• ChemBase ID: 35514
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: C(=O)(NN)Cc1ccc(cc1)C
• Canonical SMILES: NNC(=O)Cc1ccc(cc1)C
• InChI: InChI=1S/C9H12N2O/c1-7-2-4-8(5-3-7)6-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)
• InChIKey: WIVOCOQKIVAVRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methylphenyl)acetohydrazide
• IUPAC Traditional name: 2-(4-methylphenyl)acetohydrazide
• Synonyms: 2-(4-Methylphenyl)acetohydrazide

Database IDs

• CAS Number: 57676-54-7
• MDL Number: MFCD08753835
• PubChem SID: 160998821
• PubChem CID: 967808

CALCULATED PROPERTIES

• Acid pKa: 13.126562
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.0192242
• LogD (pH = 7.4): 1.020974
• Log P: 1.0209972
• Molar Refractivity: 48.7131 cm^3
• Polarizability: 18.406511 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false