4-butoxybenzohydrazide

• ChemBase ID: 27102
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: C(=O)(c1ccc(cc1)OCCCC)NN
• Canonical SMILES: CCCCOc1ccc(cc1)C(=O)NN
• InChI: InChI=1S/C11H16N2O2/c1-2-3-8-15-10-6-4-9(5-7-10)11(14)13-12/h4-7H,2-3,8,12H2,1H3,(H,13,14)
• InChIKey: DTSNDHRSCBHKGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-butoxybenzohydrazide
• IUPAC Traditional name: 4-butoxybenzohydrazide
• Synonyms: 4-Butoxybenzohydrazide

Database IDs

• CAS Number: 64328-61-6
• MDL Number: MFCD00452662
• PubChem SID: 160990409
• PubChem CID: 313348

CALCULATED PROPERTIES

• Acid pKa: 14.507529
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.6926905
• LogD (pH = 7.4): 1.6936262
• Log P: 1.6936382
• Molar Refractivity: 59.9573 cm^3
• Polarizability: 22.627079 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false