3-propoxybenzohydrazide

• ChemBase ID: 25794
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(=O)(c1cc(OCCC)ccc1)NN
• Canonical SMILES: CCCOc1cccc(c1)C(=O)NN
• InChI: InChI=1S/C10H14N2O2/c1-2-6-14-9-5-3-4-8(7-9)10(13)12-11/h3-5,7H,2,6,11H2,1H3,(H,12,13)
• InChIKey: VHLBQRWIRWVAKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-propoxybenzohydrazide
• IUPAC Traditional name: 3-propoxybenzohydrazide
• Synonyms: 3-Propoxybenzohydrazide

Database IDs

• MDL Number: MFCD01922137
• PubChem SID: 160989101
• PubChem CID: 1756326

CALCULATED PROPERTIES

• Acid pKa: 14.040861
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2482196
• LogD (pH = 7.4): 1.2490587
• Log P: 1.2490695
• Molar Refractivity: 55.3563 cm^3
• Polarizability: 20.788921 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