6,8-dimethyl-1,2,3,4-tetrahydroquinoline hydrochloride

• ChemBase ID: 285931
• Molecular Formular: C11H16ClN
• Molecular Mass: 197.70444
• Monoisotopic Mass: 197.0971272
• SMILES: c12c(cc(cc1C)C)CCCN2.Cl
• Canonical SMILES: Cc1cc2CCCNc2c(c1)C.Cl
• InChI: InChI=1S/C11H15N.ClH/c1-8-6-9(2)11-10(7-8)4-3-5-12-11;/h6-7,12H,3-5H2,1-2H3;1H
• InChIKey: HAUCRYYBFFRYTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,8-dimethyl-1,2,3,4-tetrahydroquinoline hydrochloride
• IUPAC Traditional name: 6,8-dimethyl-1,2,3,4-tetrahydroquinoline hydrochloride
• Synonyms: 6,8-dimethyl-1,2,3,4-tetrahydroquinoline hydrochloride

Database IDs

• MDL Number: MFCD21602671
• PubChem SID: 180671462
• PubChem CID: 72157864

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7414882
• LogD (pH = 7.4): 2.9538121
• Log P: 2.9573238
• Molar Refractivity: 54.2448 cm^3
• Polarizability: 19.743635 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 205 - 207°C
• Hydrophobicity(logP): 3.183

Product Information

• Purity: 95%