3-methoxy-4-propoxybenzohydrazide

• ChemBase ID: 233296
• Molecular Formular: C11H16N2O3
• Molecular Mass: 224.25634
• Monoisotopic Mass: 224.11609238
• SMILES: C(=O)(c1cc(c(cc1)OCCC)OC)NN
• Canonical SMILES: CCCOc1ccc(cc1OC)C(=O)NN
• InChI: InChI=1S/C11H16N2O3/c1-3-6-16-9-5-4-8(11(14)13-12)7-10(9)15-2/h4-5,7H,3,6,12H2,1-2H3,(H,13,14)
• InChIKey: JVXVFTKWLPOLRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-4-propoxybenzohydrazide
• IUPAC Traditional name: 3-methoxy-4-propoxybenzohydrazide
• Synonyms: 3-methoxy-4-propoxybenzohydrazide

Database IDs

• MDL Number: MFCD04638762
• PubChem SID: 164289206
• PubChem CID: 2414103

CALCULATED PROPERTIES

• Acid pKa: 14.145136
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0904921
• LogD (pH = 7.4): 1.0913868
• Log P: 1.0913982
• Molar Refractivity: 61.8195 cm^3
• Polarizability: 23.324589 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 146 - 148°C
• Hydrophobicity(logP): 1.156

Product Information

• Purity: 95%