4-phenyl-1,2,3,6-tetrahydropyridine

• ChemBase ID: 800853
• Molecular Formular: C11H13N
• Molecular Mass: 159.22762
• Monoisotopic Mass: 159.10479942
• SMILES: N1CCC(=CC1)c1ccccc1
• Canonical SMILES: N1CCC(=CC1)c1ccccc1
• InChI: InChI=1S/C11H13N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-6,12H,7-9H2
• InChIKey: OMPXTQYWYRWWPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenyl-1,2,3,6-tetrahydropyridine
• IUPAC Traditional name: 4-phenyl-1,2,3,6-tetrahydropyridine
• Synonyms: 4-Phenyl-1,2,3,6-tetrahydro-pyridine

Database IDs

• CAS Number: 10338-69-9

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2172912
• LogD (pH = 7.4): -0.19027123
• Log P: 1.9673721
• Molar Refractivity: 52.175 cm^3
• Polarizability: 20.24183 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%