4-propoxybenzohydrazide

• ChemBase ID: 27098
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(=O)(c1ccc(cc1)OCCC)NN
• Canonical SMILES: CCCOc1ccc(cc1)C(=O)NN
• InChI: InChI=1S/C10H14N2O2/c1-2-7-14-9-5-3-8(4-6-9)10(13)12-11/h3-6H,2,7,11H2,1H3,(H,12,13)
• InChIKey: VPDVPMYHIZEJBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-propoxybenzohydrazide
• IUPAC Traditional name: 4-propoxybenzohydrazide
• Synonyms: 4-Propoxybenzohydrazide; 4-Propoxy-benzoic acid hydrazide

Database IDs

• CAS Number: 64328-60-5
• MDL Number: MFCD00460573
• PubChem SID: 160990405
• PubChem CID: 2063438

CALCULATED PROPERTIES

• Acid pKa: 14.50755
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2481219
• LogD (pH = 7.4): 1.2490575
• Log P: 1.2490695
• Molar Refractivity: 55.3563 cm^3
• Polarizability: 20.78833 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 88 - 90°C
• Hydrophobicity(logP): 1.49

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%