(4-hydrazinylphenyl)methanol hydrochloride

• ChemBase ID: 87699
• Molecular Formular: C7H11ClN2O
• Molecular Mass: 174.62804
• Monoisotopic Mass: 174.05599066
• SMILES: N(c1ccc(cc1)CO)N.Cl
• Canonical SMILES: OCc1ccc(cc1)NN.Cl
• InChI: InChI=1S/C7H10N2O.ClH/c8-9-7-3-1-6(5-10)2-4-7;/h1-4,9-10H,5,8H2;1H
• InChIKey: JOFCJVZJNAHWAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-hydrazinylphenyl)methanol hydrochloride
• IUPAC Traditional name: 4-hydrazinobenzenemethanol hydrochloride
• Synonyms: 4-Hydrazinobenzyl alcohol hydrochloride

Database IDs

• MDL Number: MFCD03094643
• PubChem SID: 162074739
• PubChem CID: 44119311

CALCULATED PROPERTIES

• Acid pKa: 15.127963
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.37624723
• LogD (pH = 7.4): 0.5939188
• Log P: 0.59753865
• Molar Refractivity: 42.5806 cm^3
• Polarizability: 15.343775 Å^3
• Polar Surface Area: 58.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant