N-[4-(hydrazinecarbonyl)phenyl]pentanamide

• ChemBase ID: 21665
• Molecular Formular: C12H17N3O2
• Molecular Mass: 235.28228
• Monoisotopic Mass: 235.1320768
• SMILES: C(=O)(c1ccc(NC(=O)CCCC)cc1)NN
• Canonical SMILES: CCCCC(=O)Nc1ccc(cc1)C(=O)NN
• InChI: InChI=1S/C12H17N3O2/c1-2-3-4-11(16)14-10-7-5-9(6-8-10)12(17)15-13/h5-8H,2-4,13H2,1H3,(H,14,16)(H,15,17)
• InChIKey: SASGQRONSNPYIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06447091
• PubChem SID: 160984972
• PubChem CID: 4778897

CALCULATED PROPERTIES

• Acid pKa: 13.501085
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.3538963
• LogD (pH = 7.4): 1.3547823
• Log P: 1.3547939
• Molar Refractivity: 68.3124 cm^3
• Polarizability: 24.99692 Å^3
• Polar Surface Area: 84.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false