3,6,7-trimethylquinolin-2-amine

• ChemBase ID: 805025
• Molecular Formular: C12H14N2
• Molecular Mass: 186.25296
• Monoisotopic Mass: 186.11569846
• SMILES: c1(cc2c(cc1C)cc(c(n2)N)C)C
• Canonical SMILES: Cc1cc2nc(N)c(cc2cc1C)C
• InChI: InChI=1S/C12H14N2/c1-7-4-10-5-9(3)12(13)14-11(10)6-8(7)2/h4-6H,1-3H3,(H2,13,14)
• InChIKey: MAFPSKDMOKWGDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6,7-trimethylquinolin-2-amine
• IUPAC Traditional name: 3,6,7-trimethylquinolin-2-amine
• Synonyms: 2-AMINO-3,6,7-TRIMETHYLQUINOLINE

CALCULATED PROPERTIES

• Molar Refractivity: 60.1168 cm^3
• Polarizability: 23.448462 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0370152
• LogD (pH = 7.4): 3.271719
• Log P: 3.4366963

PROPERTIES

Product Information

• Purity: 98%