3-(2-hydroxyphenyl)propanehydrazide

• ChemBase ID: 38105
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: c1c(c(ccc1)O)CCC(=O)NN
• Canonical SMILES: NNC(=O)CCc1ccccc1O
• InChI: InChI=1S/C9H12N2O2/c10-11-9(13)6-5-7-3-1-2-4-8(7)12/h1-4,12H,5-6,10H2,(H,11,13)
• InChIKey: VOYZQISHSPGPFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-hydroxyphenyl)propanehydrazide
• IUPAC Traditional name: 3-(2-hydroxyphenyl)propanehydrazide
• Synonyms: 3-(2-Hydroxyphenyl)propanohydrazide; 3-(2-hydroxyphenyl)propanehydrazide

Database IDs

• CAS Number: 24535-13-5
• MDL Number: MFCD00489889
• PubChem SID: 161001412
• PubChem CID: 312669

CALCULATED PROPERTIES

• Acid pKa: 9.365674
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.64597005
• LogD (pH = 7.4): 0.6439001
• Log P: 0.6485791
• Molar Refractivity: 50.2538 cm^3
• Polarizability: 19.095297 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 166 - 168°C
• Hydrophobicity(logP): -0.244

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%