4-ethoxy-3-methoxybenzohydrazide

• ChemBase ID: 233294
• Molecular Formular: C10H14N2O3
• Molecular Mass: 210.22976
• Monoisotopic Mass: 210.10044232
• SMILES: C(=O)(c1cc(c(cc1)OCC)OC)NN
• Canonical SMILES: CCOc1ccc(cc1OC)C(=O)NN
• InChI: InChI=1S/C10H14N2O3/c1-3-15-8-5-4-7(10(13)12-11)6-9(8)14-2/h4-6H,3,11H2,1-2H3,(H,12,13)
• InChIKey: WMRPRLXZKUZZQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxy-3-methoxybenzohydrazide
• IUPAC Traditional name: 4-ethoxy-3-methoxybenzohydrazide
• Synonyms: 4-ethoxy-3-methoxybenzohydrazide

Database IDs

• CAS Number: 122772-33-2
• MDL Number: MFCD04638759
• PubChem SID: 164289204
• PubChem CID: 2414099

CALCULATED PROPERTIES

• Acid pKa: 14.145675
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.5679696
• LogD (pH = 7.4): 0.56886435
• Log P: 0.56887585
• Molar Refractivity: 57.2955 cm^3
• Polarizability: 21.491016 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 161 - 163°C
• Hydrophobicity(logP): 0.627

Product Information

• Purity: 95%