2-(4-methoxyphenyl)acetohydrazide

• ChemBase ID: 25803
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: C(=O)(NN)Cc1ccc(cc1)OC
• Canonical SMILES: NNC(=O)Cc1ccc(cc1)OC
• InChI: InChI=1S/C9H12N2O2/c1-13-8-4-2-7(3-5-8)6-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)
• InChIKey: BCHPFJXZQWWCCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenyl)acetohydrazide
• IUPAC Traditional name: 2-(4-methoxyphenyl)acetohydrazide
• Synonyms: 2-(4-Methoxyphenyl)acetohydrazide

Database IDs

• CAS Number: 57676-49-0
• MDL Number: MFCD01001351
• PubChem SID: 160989110
• PubChem CID: 578463

CALCULATED PROPERTIES

• Acid pKa: 12.592535
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.3481314
• LogD (pH = 7.4): 0.3498796
• Log P: 0.34990454
• Molar Refractivity: 50.1351 cm^3
• Polarizability: 19.164528 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 128 - 130 °C; 132 - 134°C
• Hydrophobicity(logP): 0.063

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%