2-[(2,4-dimethylphenyl)amino]acetohydrazide

• ChemBase ID: 21612
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: C(=O)(NN)CNc1c(cc(cc1)C)C
• Canonical SMILES: NNC(=O)CNc1ccc(cc1C)C
• InChI: InChI=1S/C10H15N3O/c1-7-3-4-9(8(2)5-7)12-6-10(14)13-11/h3-5,12H,6,11H2,1-2H3,(H,13,14)
• InChIKey: HCLZOVCDGZRFKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2,4-dimethylphenyl)amino]acetohydrazide
• IUPAC Traditional name: 2-[(2,4-dimethylphenyl)amino]acetohydrazide
• Synonyms: 2-[(2,4-dimethylphenyl)amino]acetohydrazide; 2-(2,4-Dimethylanilino)acetohydrazide

Database IDs

• MDL Number: MFCD02006269
• PubChem SID: 160984919
• PubChem CID: 730475

CALCULATED PROPERTIES

• Acid pKa: 13.147538
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.8460596
• LogD (pH = 7.4): 0.8474137
• Log P: 0.8474317
• Molar Refractivity: 58.7251 cm^3
• Polarizability: 21.313084 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.922

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%