2,6,8-trimethylquinolin-4-amine

• ChemBase ID: 123557
• Molecular Formular: C12H14N2
• Molecular Mass: 186.25296
• Monoisotopic Mass: 186.11569846
• SMILES: c12c(nc(cc1N)C)c(cc(c2)C)C
• Canonical SMILES: Cc1cc(C)c2c(c1)c(N)cc(n2)C
• InChI: InChI=1S/C12H14N2/c1-7-4-8(2)12-10(5-7)11(13)6-9(3)14-12/h4-6H,1-3H3,(H2,13,14)
• InChIKey: SLSWQXZTEPDTDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6,8-trimethylquinolin-4-amine
• IUPAC Traditional name: 2,6,8-trimethylquinolin-4-amine
• Synonyms: 2,6,8-trimethylquinolin-4-amine; 2,6,8-trimethyl-4-quinolinamine

Database IDs

• CAS Number: 689277-05-2
• MDL Number: MFCD08754056
• PubChem SID: 162217910
• PubChem CID: 16644492

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.66443115
• LogD (pH = 7.4): 1.1472512
• Log P: 2.4601874
• Molar Refractivity: 59.3536 cm^3
• Polarizability: 23.44873 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%