2,5,8-trimethylquinolin-4-amine

• ChemBase ID: 805169
• Molecular Formular: C12H14N2
• Molecular Mass: 186.25296
• Monoisotopic Mass: 186.11569846
• SMILES: c1c(c2c(c(c1)C)c(cc(n2)C)N)C
• Canonical SMILES: Cc1cc(N)c2c(n1)c(C)ccc2C
• InChI: InChI=1S/C12H14N2/c1-7-4-5-8(2)12-11(7)10(13)6-9(3)14-12/h4-6H,1-3H3,(H2,13,14)
• InChIKey: FDWPDSZMVNRGHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5,8-trimethylquinolin-4-amine
• IUPAC Traditional name: 2,5,8-trimethylquinolin-4-amine
• Synonyms: 4-AMINO-2,5,8-TRIMETHYLQUINOLINE

Database IDs

• CAS Number: 948292-44-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6628268
• LogD (pH = 7.4): 1.1060604
• Log P: 2.4601874
• Molar Refractivity: 59.3536 cm^3
• Polarizability: 23.448912 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%