3,7,8-trimethylquinolin-2-amine

• ChemBase ID: 805028
• Molecular Formular: C12H14N2
• Molecular Mass: 186.25296
• Monoisotopic Mass: 186.11569846
• SMILES: c1(c(c2c(cc1)cc(c(n2)N)C)C)C
• Canonical SMILES: Nc1nc2c(cc1C)ccc(c2C)C
• InChI: InChI=1S/C12H14N2/c1-7-4-5-10-6-8(2)12(13)14-11(10)9(7)3/h4-6H,1-3H3,(H2,13,14)
• InChIKey: HDOPXKGPUYYGDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,7,8-trimethylquinolin-2-amine
• IUPAC Traditional name: 3,7,8-trimethylquinolin-2-amine
• Synonyms: 2-AMINO-3,7,8-TRIMETHYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1182435
• LogD (pH = 7.4): 3.3071053
• Log P: 3.4366963
• Molar Refractivity: 60.1168 cm^3
• Polarizability: 23.450014 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%