7-methyl-1,2,3,4-tetrahydroquinoline hydrochloride

• ChemBase ID: 293659
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: Cc1cc2c(cc1)CCCN2.Cl
• Canonical SMILES: Cc1ccc2c(c1)NCCC2.Cl
• InChI: InChI=1S/C10H13N.ClH/c1-8-4-5-9-3-2-6-11-10(9)7-8;/h4-5,7,11H,2-3,6H2,1H3;1H
• InChIKey: UICVGPNOMIVWOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-1,2,3,4-tetrahydroquinoline hydrochloride
• IUPAC Traditional name: 7-methyl-1,2,3,4-tetrahydroquinoline hydrochloride
• Synonyms: 7-Methyl-1,2,3,4-tetrahydroquinoline hydrochloride

Database IDs

• CAS Number: 90874-58-1
• MDL Number: MFCD09026784
• PubChem SID: 180679190
• PubChem CID: 57474502

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.320184
• LogD (pH = 7.4): 2.4421027
• Log P: 2.4439025
• Molar Refractivity: 49.2036 cm^3
• Polarizability: 17.978071 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%