2-(2,3-dimethylphenoxy)acetohydrazide

• ChemBase ID: 21679
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(=O)(NN)COc1c(c(ccc1)C)C
• Canonical SMILES: Cc1c(OCC(=O)NN)cccc1C
• InChI: InChI=1S/C10H14N2O2/c1-7-4-3-5-9(8(7)2)14-6-10(13)12-11/h3-5H,6,11H2,1-2H3,(H,12,13)
• InChIKey: IMRIARQZPKNHKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dimethylphenoxy)acetohydrazide
• IUPAC Traditional name: 2-(2,3-dimethylphenoxy)acetohydrazide
• Synonyms: 2-(2,3-Dimethylphenoxy)acetohydrazide

Database IDs

• CAS Number: 134432-60-3
• MDL Number: MFCD01536449
• PubChem SID: 160984986
• PubChem CID: 4993579

CALCULATED PROPERTIES

• Acid pKa: 12.499987
• 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: 20.854902 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