3,6,8-trimethylquinolin-2-amine

• ChemBase ID: 805026
• Molecular Formular: C12H14N2
• Molecular Mass: 186.25296
• Monoisotopic Mass: 186.11569846
• SMILES: c1c(c2c(cc1C)cc(c(n2)N)C)C
• Canonical SMILES: Cc1cc(C)c2c(c1)cc(c(n2)N)C
• InChI: InChI=1S/C12H14N2/c1-7-4-8(2)11-10(5-7)6-9(3)12(13)14-11/h4-6H,1-3H3,(H2,13,14)
• InChIKey: DEEBQHSEAJQMFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6,8-trimethylquinolin-2-amine
• IUPAC Traditional name: 3,6,8-trimethylquinolin-2-amine
• Synonyms: 2-AMINO-3,6,8-TRIMETHYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2955122
• LogD (pH = 7.4): 3.3582854
• Log P: 3.4366963
• Molar Refractivity: 60.1168 cm^3
• Polarizability: 23.450415 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%