N'-(4-methylphenyl)carbohydrazide

• ChemBase ID: 137369
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: Cc1ccc(cc1)NNC=O
• Canonical SMILES: O=CNNc1ccc(cc1)C
• InChI: InChI=1S/C8H10N2O/c1-7-2-4-8(5-3-7)10-9-6-11/h2-6,10H,1H3,(H,9,11)
• InChIKey: DDPJROKUKMXGPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(4-methylphenyl)carbohydrazide
• IUPAC Traditional name: N'-(4-methylphenyl)carbohydrazide
• Synonyms: Formic N2-(p-tolyl)hydrazide; N2-(对甲苯基)甲酰肼

Database IDs

• CAS Number: 38577-24-1
• MDL Number: MFCD00043778
• PubChem SID: 162231632
• PubChem CID: 123474

CALCULATED PROPERTIES

• Acid pKa: 13.8285055
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5366374
• LogD (pH = 7.4): 1.5366373
• Log P: 1.5366374
• Molar Refractivity: 44.6972 cm^3
• Polarizability: 16.276167 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3

Product Information

• Purity: 96%
• Empirical Formula (Hill Notation): C8H10N2O