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

• ChemBase ID: 292858
• Molecular Formular: C9H10ClN
• Molecular Mass: 167.6354
• Monoisotopic Mass: 167.05017701
• SMILES: Clc1nc2c(CCCC2)cc1
• Canonical SMILES: Clc1ccc2c(n1)CCCC2
• InChI: InChI=1S/C9H10ClN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h5-6H,1-4H2
• InChIKey: ZUXMRCHYHAWERW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5,6,7,8-tetrahydroquinoline
• IUPAC Traditional name: 2-chloro-5,6,7,8-tetrahydroquinoline
• Synonyms: 2-Chloro-5,6,7,8-tetrahydroquinoline

Database IDs

• CAS Number: 21172-88-3
• PubChem SID: 180678389
• PubChem CID: 13169263

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9058306
• LogD (pH = 7.4): 2.9059637
• Log P: 2.9059653
• Molar Refractivity: 46.8256 cm^3
• Polarizability: 17.83468 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%