2-(2-methylphenoxy)acetohydrazide

• ChemBase ID: 21615
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: C(=O)(NN)COc1c(C)cccc1
• Canonical SMILES: NNC(=O)COc1ccccc1C
• InChI: InChI=1S/C9H12N2O2/c1-7-4-2-3-5-8(7)13-6-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)
• InChIKey: ZCKNJFQLMUSOAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 36304-37-7
• MDL Number: MFCD00553727
• PubChem SID: 160984922
• PubChem CID: 692247

CALCULATED PROPERTIES

• Acid pKa: 12.376801
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.7021429
• LogD (pH = 7.4): 0.7035389
• Log P: 0.70356095
• Molar Refractivity: 49.9533 cm^3
• Polarizability: 19.092907 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 120 - 122°C
• Hydrophobicity(logP): 0.708

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%