2-[(4-methoxyphenyl)amino]acetohydrazide

• ChemBase ID: 21610
• Molecular Formular: C9H13N3O2
• Molecular Mass: 195.21842
• Monoisotopic Mass: 195.10077667
• SMILES: C(=O)(NN)CNc1ccc(cc1)OC
• Canonical SMILES: NNC(=O)CNc1ccc(cc1)OC
• InChI: InChI=1S/C9H13N3O2/c1-14-8-4-2-7(3-5-8)11-6-9(13)12-10/h2-5,11H,6,10H2,1H3,(H,12,13)
• InChIKey: IVOFQEDOJHLXNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-methoxyphenyl)amino]acetohydrazide
• IUPAC Traditional name: 2-[(4-methoxyphenyl)amino]acetohydrazide
• Synonyms: 2-(4-Methoxyanilino)acetohydrazide; (4-Methoxy-phenylamino)-acetic acid hydrazide

Database IDs

• CAS Number: 79476-73-6
• MDL Number: MFCD00462929
• PubChem SID: 160984917
• PubChem CID: 2063441

CALCULATED PROPERTIES

• Acid pKa: 12.555489
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.33955896
• LogD (pH = 7.4): -0.33711633
• Log P: -0.33708233
• Molar Refractivity: 55.1059 cm^3
• Polarizability: 20.317606 Å^3
• Polar Surface Area: 76.38 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 95 - 97°C
• Hydrophobicity(logP): 0.026

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%