2-[(4-methylphenyl)amino]butanehydrazide

• ChemBase ID: 33275
• Molecular Formular: C11H17N3O
• Molecular Mass: 207.27218
• Monoisotopic Mass: 207.13716218
• SMILES: C(=O)(C(Nc1ccc(cc1)C)CC)NN
• Canonical SMILES: CCC(C(=O)NN)Nc1ccc(cc1)C
• InChI: InChI=1S/C11H17N3O/c1-3-10(11(15)14-12)13-9-6-4-8(2)5-7-9/h4-7,10,13H,3,12H2,1-2H3,(H,14,15)
• InChIKey: HRNYWLLXJWIQFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-methylphenyl)amino]butanehydrazide
• IUPAC Traditional name: 2-[(4-methylphenyl)amino]butanehydrazide
• Synonyms: 2-[(4-Methylphenyl)amino]butanohydrazide

Database IDs

• MDL Number: MFCD11696417
• PubChem SID: 160996582
• PubChem CID: 25219138

CALCULATED PROPERTIES

• H Donor: 3
• LogD (pH = 5.5): 1.4239223
• LogD (pH = 7.4): 1.4252789
• Log P: 1.425297
• Molar Refractivity: 62.7018 cm^3
• Polarizability: 23.231634 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 13.10232
• H Acceptors: 3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false