2-[(4-methoxyphenyl)amino]butanehydrazide

• ChemBase ID: 33286
• Molecular Formular: C11H17N3O2
• Molecular Mass: 223.27158
• Monoisotopic Mass: 223.1320768
• SMILES: C(=O)(C(Nc1ccc(cc1)OC)CC)NN
• Canonical SMILES: CCC(C(=O)NN)Nc1ccc(cc1)OC
• InChI: InChI=1S/C11H17N3O2/c1-3-10(11(15)14-12)13-8-4-6-9(16-2)7-5-8/h4-7,10,13H,3,12H2,1-2H3,(H,14,15)
• InChIKey: QOASZMKPZLKPKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11696421
• PubChem SID: 160996593
• PubChem CID: 25219143

CALCULATED PROPERTIES

• Acid pKa: 12.656833
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.75184023
• LogD (pH = 7.4): 0.7541723
• Log P: 0.75420433
• Molar Refractivity: 64.1238 cm^3
• Polarizability: 23.991009 Å^3
• Polar Surface Area: 76.38 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false