4-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

• ChemBase ID: 293226
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: CC1CNCc2c1cccc2.Cl
• Canonical SMILES: CC1CNCc2c1cccc2.Cl
• InChI: InChI=1S/C10H13N.ClH/c1-8-6-11-7-9-4-2-3-5-10(8)9;/h2-5,8,11H,6-7H2,1H3;1H
• InChIKey: FEIBBSJVOAXLOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 111661-47-3
• MDL Number: MFCD11501478
• PubChem SID: 180678757
• PubChem CID: 13738935

CALCULATED PROPERTIES

• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2335559
• LogD (pH = 7.4): -0.12342869
• Log P: 1.936456
• Molar Refractivity: 47.0872 cm^3
• Polarizability: 18.459646 Å^3

PROPERTIES

Product Information

• Purity: 95+%