2-[(4-ethoxyphenyl)amino]acetohydrazide

• ChemBase ID: 21605
• Molecular Formular: C10H15N3O2
• Molecular Mass: 209.245
• Monoisotopic Mass: 209.11642674
• SMILES: C(=O)(NN)CNc1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)NCC(=O)NN
• InChI: InChI=1S/C10H15N3O2/c1-2-15-9-5-3-8(4-6-9)12-7-10(14)13-11/h3-6,12H,2,7,11H2,1H3,(H,13,14)
• InChIKey: SBGTZGYSJPRABB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-ethoxyphenyl)amino]acetohydrazide
• IUPAC Traditional name: 2-[(4-ethoxyphenyl)amino]acetohydrazide
• Synonyms: 2-(4-Ethoxyanilino)acetohydrazide

Database IDs

• MDL Number: MFCD02255627
• PubChem SID: 160984912
• PubChem CID: 1133302

CALCULATED PROPERTIES

• Acid pKa: 12.396478
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.01728808
• LogD (pH = 7.4): 0.019690916
• Log P: 0.019725634
• Molar Refractivity: 59.8545 cm^3
• Polarizability: 22.153482 Å^3
• Polar Surface Area: 76.38 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false