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

• ChemBase ID: 811230
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: c1cc2c(cc1C)CCNC2
• Canonical SMILES: Cc1ccc2c(c1)CCNC2
• InChI: InChI=1S/C10H13N/c1-8-2-3-10-7-11-5-4-9(10)6-8/h2-3,6,11H,4-5,7H2,1H3
• InChIKey: JQOUGGPGOWRLPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-1,2,3,4-tetrahydroisoquinoline
• IUPAC Traditional name: 6-methyl-1,2,3,4-tetrahydroisoquinoline
• Synonyms: 6-METHYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE

Database IDs

• CAS Number: 42923-76-2

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0714216
• LogD (pH = 7.4): 0.10197074
• Log P: 2.0849044
• Molar Refractivity: 47.6568 cm^3
• Polarizability: 18.378813 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%