4-chloro-5,6,7,8-tetrahydroquinoline

• ChemBase ID: 292859
• Molecular Formular: C9H10ClN
• Molecular Mass: 167.6354
• Monoisotopic Mass: 167.05017701
• SMILES: Clc1ccnc2c1CCCC2
• Canonical SMILES: Clc1ccnc2c1CCCC2
• InChI: InChI=1S/C9H10ClN/c10-8-5-6-11-9-4-2-1-3-7(8)9/h5-6H,1-4H2
• InChIKey: PAEQYSUYGGYPRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-5,6,7,8-tetrahydroquinoline
• IUPAC Traditional name: 4-chloro-5,6,7,8-tetrahydroquinoline
• Synonyms: 4-Chloro-5,6,7,8-tetrahydroquinoline

Database IDs

• CAS Number: 133092-34-9
• PubChem SID: 180678390
• PubChem CID: 10942831

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.591204
• LogD (pH = 7.4): 2.684448
• Log P: 2.6857882
• Molar Refractivity: 45.7643 cm^3
• Polarizability: 17.778538 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%