2-[(4-iodophenyl)amino]acetohydrazide

• ChemBase ID: 33249
• Molecular Formular: C8H10IN3O
• Molecular Mass: 291.08897
• Monoisotopic Mass: 290.98685996
• SMILES: C(=O)(NN)CNc1ccc(I)cc1
• Canonical SMILES: NNC(=O)CNc1ccc(cc1)I
• InChI: InChI=1S/C8H10IN3O/c9-6-1-3-7(4-2-6)11-5-8(13)12-10/h1-4,11H,5,10H2,(H,12,13)
• InChIKey: AYGNTTLCBOXYTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-iodophenyl)amino]acetohydrazide
• IUPAC Traditional name: 2-[(4-iodophenyl)amino]acetohydrazide
• Synonyms: 2-[(4-Iodophenyl)amino]acetohydrazide

Database IDs

• MDL Number: MFCD00456943
• PubChem SID: 160996556
• PubChem CID: 758258

CALCULATED PROPERTIES

• Acid pKa: 11.787492
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.7483777
• LogD (pH = 7.4): 0.7495028
• Log P: 0.7495334
• Molar Refractivity: 62.0052 cm^3
• Polarizability: 23.013977 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false