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

• ChemBase ID: 270862
• Molecular Formular: C9H11Cl2N
• Molecular Mass: 204.09634
• Monoisotopic Mass: 203.02685472
• SMILES: c12NCCCc2cccc1Cl.Cl
• Canonical SMILES: Clc1cccc2c1NCCC2.Cl
• InChI: InChI=1S/C9H10ClN.ClH/c10-8-5-1-3-7-4-2-6-11-9(7)8;/h1,3,5,11H,2,4,6H2;1H
• InChIKey: GPBWNHANBOLYQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD17977014
• PubChem SID: 164326772
• PubChem CID: 50988446

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

• Melting Point: 209 - 211°C
• Hydrophobicity(logP): 3.2

Product Information

• Purity: 95%