2,4-dichloro-5,6,7,8-tetrahydroquinoline

• ChemBase ID: 290154
• Molecular Formular: C9H9Cl2N
• Molecular Mass: 202.08046
• Monoisotopic Mass: 201.01120465
• SMILES: Clc1nc2c(CCCC2)c(Cl)c1
• Canonical SMILES: Clc1cc(Cl)c2c(n1)CCCC2
• InChI: InChI=1S/C9H9Cl2N/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h5H,1-4H2
• InChIKey: VGKOBWWSTKFWJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-5,6,7,8-tetrahydroquinoline
• IUPAC Traditional name: 2,4-dichloro-5,6,7,8-tetrahydroquinoline
• Synonyms: 2,4-Dichloro-5,6,7,8-tetrahydroquinoline

Database IDs

• CAS Number: 858279-01-3
• PubChem SID: 180675685
• PubChem CID: 70701224

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.509997
• LogD (pH = 7.4): 3.51001
• Log P: 3.51001
• Molar Refractivity: 51.6304 cm^3
• Polarizability: 19.742733 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%