2-(4-methylphenoxy)acetohydrazide

• ChemBase ID: 21616
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: C(=O)(NN)COc1ccc(cc1)C
• Canonical SMILES: NNC(=O)COc1ccc(cc1)C
• InChI: InChI=1S/C9H12N2O2/c1-7-2-4-8(5-3-7)13-6-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)
• InChIKey: BJAPYOSQJTZYQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methylphenoxy)acetohydrazide
• IUPAC Traditional name: 2-(4-methylphenoxy)acetohydrazide
• Synonyms: p-Tolyloxy-acetic acid hydrazide; 2-(4-Methylphenoxy)acetohydrazide

Database IDs

• CAS Number: 36304-39-9
• MDL Number: MFCD00553730
• PubChem SID: 160984923
• PubChem CID: 692242

CALCULATED PROPERTIES

• Acid pKa: 12.354322
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.70214283
• LogD (pH = 7.4): 0.70353866
• Log P: 0.70356095
• Molar Refractivity: 49.9533 cm^3
• Polarizability: 19.09143 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.708

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%