2-propoxybenzohydrazide

• ChemBase ID: 21674
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: c1(C(=O)NN)c(OCCC)cccc1
• Canonical SMILES: CCCOc1ccccc1C(=O)NN
• InChI: InChI=1S/C10H14N2O2/c1-2-7-14-9-6-4-3-5-8(9)10(13)12-11/h3-6H,2,7,11H2,1H3,(H,12,13)
• InChIKey: ZPDRCLMKIDAUSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-propoxybenzohydrazide
• IUPAC Traditional name: 2-propoxybenzohydrazide
• Synonyms: 2-Propoxybenzohydrazide

Database IDs

• MDL Number: MFCD06447104
• PubChem SID: 160984981
• PubChem CID: 4778932

CALCULATED PROPERTIES

• Acid pKa: 13.582306
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2482986
• LogD (pH = 7.4): 1.2490596
• Log P: 1.2490695
• Molar Refractivity: 55.3563 cm^3
• Polarizability: 20.791008 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