2-(phenylamino)acetohydrazide

• ChemBase ID: 230542
• Molecular Formular: C8H11N3O
• Molecular Mass: 165.19244
• Monoisotopic Mass: 165.09021199
• SMILES: C(=O)(NN)CNc1ccccc1
• Canonical SMILES: NNC(=O)CNc1ccccc1
• InChI: InChI=1S/C8H11N3O/c9-11-8(12)6-10-7-4-2-1-3-5-7/h1-5,10H,6,9H2,(H,11,12)
• InChIKey: WKELCSMVLKMMAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(phenylamino)acetohydrazide
• IUPAC Traditional name: 2-(phenylamino)acetohydrazide
• Synonyms: Phenylamino-acetic acid hydrazide

Database IDs

• CAS Number: 29111-46-4
• MDL Number: MFCD02255625
• PubChem SID: 164286452
• PubChem CID: 317734

CALCULATED PROPERTIES

• Acid pKa: 12.970069
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.18060511
• LogD (pH = 7.4): -0.17942718
• Log P: -0.17941105
• Molar Refractivity: 48.6427 cm^3
• Polarizability: 17.787079 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 126 - 128°C
• Hydrophobicity(logP): -0.076

Product Information

• Purity: 95%