N-[4-(hydrazinecarbonyl)phenyl]propanamide

• ChemBase ID: 21599
• Molecular Formular: C10H13N3O2
• Molecular Mass: 207.22912
• Monoisotopic Mass: 207.10077667
• SMILES: C(=O)(c1ccc(NC(=O)CC)cc1)NN
• Canonical SMILES: CCC(=O)Nc1ccc(cc1)C(=O)NN
• InChI: InChI=1S/C10H13N3O2/c1-2-9(14)12-8-5-3-7(4-6-8)10(15)13-11/h3-6H,2,11H2,1H3,(H,12,14)(H,13,15)
• InChIKey: XWUCHDVMSRWTCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(hydrazinecarbonyl)phenyl]propanamide
• IUPAC Traditional name: N-[4-(hydrazinecarbonyl)phenyl]propanamide
• Synonyms: N-[4-(Hydrazinocarbonyl)phenyl]propanamide

Database IDs

• MDL Number: MFCD01814010
• PubChem SID: 160984906
• PubChem CID: 910235

CALCULATED PROPERTIES

• Acid pKa: 13.511213
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.4647589
• LogD (pH = 7.4): 0.46564502
• Log P: 0.46565664
• Molar Refractivity: 59.1104 cm^3
• Polarizability: 21.325407 Å^3
• Polar Surface Area: 84.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false