8-ethyl-1,2,3,4-tetrahydroquinoline

• ChemBase ID: 273563
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: c12NCCCc1cccc2CC
• Canonical SMILES: CCc1cccc2c1NCCC2
• InChI: InChI=1S/C11H15N/c1-2-9-5-3-6-10-7-4-8-12-11(9)10/h3,5-6,12H,2,4,7-8H2,1H3
• InChIKey: HCKTXASHYLOGNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-ethyl-1,2,3,4-tetrahydroquinoline
• IUPAC Traditional name: 8-ethyl-1,2,3,4-tetrahydroquinoline
• Synonyms: 8-ethyl-1,2,3,4-tetrahydroquinoline

Database IDs

• MDL Number: MFCD09732239
• PubChem SID: 164329473
• PubChem CID: 14833662

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8100297
• LogD (pH = 7.4): 2.8873897
• Log P: 2.8884711
• Molar Refractivity: 53.8046 cm^3
• Polarizability: 19.82436 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.213

Product Information

• Purity: 95%