2-(2,6-dimethylphenoxy)acetohydrazide

• ChemBase ID: 21597
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: c1(OCC(=O)NN)c(cccc1C)C
• Canonical SMILES: NNC(=O)COc1c(C)cccc1C
• InChI: InChI=1S/C10H14N2O2/c1-7-4-3-5-8(2)10(7)14-6-9(13)12-11/h3-5H,6,11H2,1-2H3,(H,12,13)
• InChIKey: BXTXJUJFIBOLDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dimethylphenoxy)acetohydrazide
• IUPAC Traditional name: 2-(2,6-dimethylphenoxy)acetohydrazide
• Synonyms: 2-(2,6-Dimethylphenoxy)acetohydrazide

Database IDs

• CAS Number: 64106-78-1
• MDL Number: MFCD01536448
• PubChem SID: 160984904
• PubChem CID: 767091

CALCULATED PROPERTIES

• Acid pKa: 12.513555
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2155644
• LogD (pH = 7.4): 1.2169614
• Log P: 1.2169824
• Molar Refractivity: 54.9945 cm^3
• Polarizability: 20.85586 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.207

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%