3-(3-methoxyphenyl)propanehydrazide

• ChemBase ID: 35513
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(=O)(NN)CCc1cc(OC)ccc1
• Canonical SMILES: NNC(=O)CCc1cccc(c1)OC
• InChI: InChI=1S/C10H14N2O2/c1-14-9-4-2-3-8(7-9)5-6-10(13)12-11/h2-4,7H,5-6,11H2,1H3,(H,12,13)
• InChIKey: QKYJPNFDEZUAGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11643754
• PubChem SID: 160998820
• PubChem CID: 25219703

CALCULATED PROPERTIES

• Acid pKa: 12.760709
• 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: 21.0044 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false