3-(4-hydroxyphenyl)propanehydrazide

• ChemBase ID: 38103
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: c1c(ccc(c1)O)CCC(=O)NN
• Canonical SMILES: NNC(=O)CCc1ccc(cc1)O
• InChI: InChI=1S/C9H12N2O2/c10-11-9(13)6-3-7-1-4-8(12)5-2-7/h1-2,4-5,12H,3,6,10H2,(H,11,13)
• InChIKey: JMNHUOPRGLTNJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-hydroxyphenyl)propanehydrazide
• IUPAC Traditional name: 3-(4-hydroxyphenyl)propanehydrazide
• Synonyms: 3-(4-Hydroxyphenyl)propanohydrazide

Database IDs

• CAS Number: 65330-63-4
• MDL Number: MFCD00025134
• PubChem SID: 161001410
• PubChem CID: 2796587

CALCULATED PROPERTIES

• Acid pKa: 9.504974
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.6459862
• LogD (pH = 7.4): 0.64516973
• Log P: 0.6485791
• Molar Refractivity: 50.2538 cm^3
• Polarizability: 19.09515 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%