2-(3-amino-4-hydroxyphenyl)acetohydrazide

• ChemBase ID: 43337
• Molecular Formular: C8H11N3O2
• Molecular Mass: 181.19184
• Monoisotopic Mass: 181.08512661
• SMILES: c1(c(ccc(c1)CC(=O)NN)O)N
• Canonical SMILES: NNC(=O)Cc1ccc(c(c1)N)O
• InChI: InChI=1S/C8H11N3O2/c9-6-3-5(1-2-7(6)12)4-8(13)11-10/h1-3,12H,4,9-10H2,(H,11,13)
• InChIKey: ISHGZQJUJHROCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-amino-4-hydroxyphenyl)acetohydrazide
• IUPAC Traditional name: 2-(3-amino-4-hydroxyphenyl)acetohydrazide
• Synonyms: 2-(3-Amino-4-hydroxyphenyl)acetohydrazide

Database IDs

• MDL Number: MFCD12025895
• PubChem SID: 162048100
• PubChem CID: 40148083

CALCULATED PROPERTIES

• Acid pKa: 10.303056
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -0.6530322
• LogD (pH = 7.4): -0.6258681
• Log P: -0.6249155
• Molar Refractivity: 50.3532 cm^3
• Polarizability: 18.413515 Å^3
• Polar Surface Area: 101.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 192 - 194 °C; 192-194°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%