3-(4-methoxyphenyl)propanehydrazide

• ChemBase ID: 25807
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(=O)(NN)CCc1ccc(cc1)OC
• Canonical SMILES: NNC(=O)CCc1ccc(cc1)OC
• InChI: InChI=1S/C10H14N2O2/c1-14-9-5-2-8(3-6-9)4-7-10(13)12-11/h2-3,5-6H,4,7,11H2,1H3,(H,12,13)
• InChIKey: BFZQOADVWOLSQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methoxyphenyl)propanehydrazide
• IUPAC Traditional name: 3-(4-methoxyphenyl)propanehydrazide
• Synonyms: 3-(4-Methoxyphenyl)propanohydrazide; 3-(4-methoxyphenyl)propanehydrazide

Database IDs

• CAS Number: 121670-33-5
• MDL Number: MFCD00463001
• PubChem SID: 160989114
• PubChem CID: 3694526

CALCULATED PROPERTIES

• Acid pKa: 12.760407
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.79192287
• LogD (pH = 7.4): 0.79443926
• Log P: 0.7944732
• Molar Refractivity: 54.7361 cm^3
• Polarizability: 21.00438 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 129 - 131°C
• Hydrophobicity(logP): 0.392

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%