5,6,7,8-tetrahydroquinoline

• ChemBase ID: 67269
• Molecular Formular: C9H11N
• Molecular Mass: 133.19034
• Monoisotopic Mass: 133.08914936
• SMILES: n1cccc2CCCCc12
• Canonical SMILES: C1CCc2c(C1)nccc2
• InChI: InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h3,5,7H,1-2,4,6H2
• InChIKey: YQDGQEKUTLYWJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6,7,8-tetrahydroquinoline
• IUPAC Traditional name: quinoline, 5,6,7,8-tetrahydro-
• Synonyms: 5,6,7,8-Tetrahydroquinoline; 5,6,7,8-Tetrahydro-quinoline

Database IDs

• CAS Number: 10500-57-9
• MDL Number: MFCD00006734
• PubChem SID: 162033005
• PubChem CID: 66335

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5032797
• LogD (pH = 7.4): 2.0651076
• Log P: 2.0817435
• Molar Refractivity: 40.9595 cm^3
• Polarizability: 15.927021 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.217

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%