2-(4-acetylphenoxy)propanehydrazide

• ChemBase ID: 233809
• Molecular Formular: C11H14N2O3
• Molecular Mass: 222.24046
• Monoisotopic Mass: 222.10044232
• SMILES: C(=O)(C(Oc1ccc(C(=O)C)cc1)C)NN
• Canonical SMILES: NNC(=O)C(Oc1ccc(cc1)C(=O)C)C
• InChI: InChI=1S/C11H14N2O3/c1-7(14)9-3-5-10(6-4-9)16-8(2)11(15)13-12/h3-6,8H,12H2,1-2H3,(H,13,15)
• InChIKey: UCCLCIYYIJYXHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-acetylphenoxy)propanehydrazide
• IUPAC Traditional name: 2-(4-acetylphenoxy)propanehydrazide
• Synonyms: 2-(4-acetylphenoxy)propanohydrazide

Database IDs

• MDL Number: MFCD06496459
• PubChem SID: 164289719
• PubChem CID: 3758268

CALCULATED PROPERTIES

• Acid pKa: 11.895784
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.3156687
• LogD (pH = 7.4): 0.31652772
• Log P: 0.31655133
• Molar Refractivity: 59.8088 cm^3
• Polarizability: 22.91827 Å^3
• Polar Surface Area: 81.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 164 - 167°C
• Hydrophobicity(logP): 0.258

Product Information

• Purity: 95%