4-(hexyloxy)benzohydrazide

• ChemBase ID: 21673
• Molecular Formular: C13H20N2O2
• Molecular Mass: 236.3101
• Monoisotopic Mass: 236.15247789
• SMILES: C(=O)(c1ccc(cc1)OCCCCCC)NN
• Canonical SMILES: CCCCCCOc1ccc(cc1)C(=O)NN
• InChI: InChI=1S/C13H20N2O2/c1-2-3-4-5-10-17-12-8-6-11(7-9-12)13(16)15-14/h6-9H,2-5,10,14H2,1H3,(H,15,16)
• InChIKey: ZKSQOKZGDNEDJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(hexyloxy)benzohydrazide
• IUPAC Traditional name: 4-(hexyloxy)benzohydrazide
• Synonyms: 4-(Hexyloxy)benzohydrazide; 4-Hexyloxy-benzoic acid hydrazide

Database IDs

• CAS Number: 64328-63-8
• MDL Number: MFCD00564782
• PubChem SID: 160984980
• PubChem CID: 1625940

CALCULATED PROPERTIES

• Acid pKa: 14.507528
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.5818279
• LogD (pH = 7.4): 2.5827634
• Log P: 2.5827756
• Molar Refractivity: 69.1593 cm^3
• Polarizability: 26.307688 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.077

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%