2-(2,5-dimethylphenoxy)acetohydrazide

• ChemBase ID: 21694
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(=O)(NN)COc1c(ccc(c1)C)C
• Canonical SMILES: Cc1ccc(cc1OCC(=O)NN)C
• InChI: InChI=1S/C10H14N2O2/c1-7-3-4-8(2)9(5-7)14-6-10(13)12-11/h3-5H,6,11H2,1-2H3,(H,12,13)
• InChIKey: VSSYNLQAUAPHQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dimethylphenoxy)acetohydrazide
• IUPAC Traditional name: 2-(2,5-dimethylphenoxy)acetohydrazide
• Synonyms: 2-(2,5-Dimethylphenoxy)acetohydrazide; (2,5-Dimethyl-phenoxy)-acetic acid hydrazide

Database IDs

• CAS Number: 103896-91-9
• MDL Number: MFCD02288788
• PubChem SID: 160985001
• PubChem CID: 2064049

CALCULATED PROPERTIES

• Acid pKa: 12.496685
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2155643
• LogD (pH = 7.4): 1.2169613
• Log P: 1.2169824
• Molar Refractivity: 54.9945 cm^3
• Polarizability: 20.85467 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 153 - 155°C
• Hydrophobicity(logP): 1.207

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%