2-(2,4,6-trimethylphenoxy)acetohydrazide

• ChemBase ID: 57872
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: c1c(c(c(cc1C)C)OCC(=O)NN)C
• Canonical SMILES: NNC(=O)COc1c(C)cc(cc1C)C
• InChI: InChI=1S/C11H16N2O2/c1-7-4-8(2)11(9(3)5-7)15-6-10(14)13-12/h4-5H,6,12H2,1-3H3,(H,13,14)
• InChIKey: BZHFYKOFWVEIBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4,6-trimethylphenoxy)acetohydrazide
• IUPAC Traditional name: 2-(2,4,6-trimethylphenoxy)acetohydrazide
• Synonyms: 2-(Mesityloxy)acetohydrazide

Database IDs

• MDL Number: MFCD03208905
• PubChem SID: 162062635
• PubChem CID: 17370279

CALCULATED PROPERTIES

• Acid pKa: 12.612253
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7289858
• LogD (pH = 7.4): 1.7303834
• Log P: 1.7304037
• Molar Refractivity: 60.0357 cm^3
• Polarizability: 22.617952 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false