4-hydrazinylbenzamide

• ChemBase ID: 180492
• Molecular Formular: C7H9N3O
• Molecular Mass: 151.16586
• Monoisotopic Mass: 151.07456192
• SMILES: C(=O)(c1ccc(cc1)NN)N
• Canonical SMILES: NNc1ccc(cc1)C(=O)N
• InChI: InChI=1S/C7H9N3O/c8-7(11)5-1-3-6(10-9)4-2-5/h1-4,10H,9H2,(H2,8,11)
• InChIKey: URSUOMZVWOFEST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinylbenzamide
• IUPAC Traditional name: 4-hydrazinylbenzamide
• Synonyms: 4-Hydrazinylbenzamide

Database IDs

• CAS Number: 74885-67-9
• PubChem SID: 164236402
• PubChem CID: 4770377

CALCULATED PROPERTIES

• Acid pKa: 15.174605
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.036361713
• LogD (pH = 7.4): 0.21274465
• Log P: 0.21552873
• Molar Refractivity: 44.8431 cm^3
• Polarizability: 15.728975 Å^3
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true