2-(4-methylphenyl)cyclopropane-1-carbohydrazide

• ChemBase ID: 27326
• Molecular Formular: C11H14N2O
• Molecular Mass: 190.24166
• Monoisotopic Mass: 190.11061308
• SMILES: C1(C(C1)c1ccc(cc1)C)C(=O)NN
• Canonical SMILES: NNC(=O)C1CC1c1ccc(cc1)C
• InChI: InChI=1S/C11H14N2O/c1-7-2-4-8(5-3-7)9-6-10(9)11(14)13-12/h2-5,9-10H,6,12H2,1H3,(H,13,14)
• InChIKey: FIPFFUWDRAOWFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methylphenyl)cyclopropane-1-carbohydrazide
• IUPAC Traditional name: 2-(4-methylphenyl)cyclopropane-1-carbohydrazide
• Synonyms: 2-(4-Methylphenyl)cyclopropanecarbohydrazide

Database IDs

• CAS Number: 438219-20-6
• MDL Number: MFCD02253832
• PubChem SID: 160990633
• PubChem CID: 4411497

CALCULATED PROPERTIES

• Acid pKa: 13.081472
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3847675
• LogD (pH = 7.4): 1.3872441
• Log P: 1.3872766
• Molar Refractivity: 56.034 cm^3
• Polarizability: 21.362196 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false