4-phenylpyridin-3-amine dihydrochloride

• ChemBase ID: 799254
• Molecular Formular: C11H12Cl2N2
• Molecular Mass: 243.13238
• Monoisotopic Mass: 242.03775375
• SMILES: Cl.Cl.Nc1cnccc1c1ccccc1
• Canonical SMILES: Nc1cnccc1c1ccccc1.Cl.Cl
• InChI: InChI=1S/C11H10N2.2ClH/c12-11-8-13-7-6-10(11)9-4-2-1-3-5-9;;/h1-8H,12H2;2*1H
• InChIKey: MZPHLKHRXAWIEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenylpyridin-3-amine dihydrochloride
• IUPAC Traditional name: 4-phenylpyridin-3-amine dihydrochloride
• Synonyms: 4-Phenyl-pyridin-3-ylamine dihydrochloride

Database IDs

• CAS Number: 165387-82-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2433404
• LogD (pH = 7.4): 1.5667639
• Log P: 1.5738728
• Molar Refractivity: 53.7377 cm^3
• Polarizability: 21.622578 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%