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

• ChemBase ID: 264181
• Molecular Formular: C9H10ClN
• Molecular Mass: 167.6354
• Monoisotopic Mass: 167.05017701
• SMILES: c12NCCCc2cccc1Cl
• Canonical SMILES: Clc1cccc2c1NCCC2
• InChI: InChI=1S/C9H10ClN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1,3,5,11H,2,4,6H2
• InChIKey: NLSDMOYGCYVCFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09034968
• PubChem SID: 164320091
• PubChem CID: 13219443

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5262086
• LogD (pH = 7.4): 2.53442
• Log P: 2.5345259
• Molar Refractivity: 48.9672 cm^3
• Polarizability: 18.048986 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.2

Product Information

• Purity: 95%