2,5,7-trimethylquinolin-4-amine

• ChemBase ID: 805168
• Molecular Formular: C12H14N2
• Molecular Mass: 186.25296
• Monoisotopic Mass: 186.11569846
• SMILES: c1(cc2c(c(c1)C)c(cc(n2)C)N)C
• Canonical SMILES: Cc1cc(C)c2c(c1)nc(cc2N)C
• InChI: InChI=1S/C12H14N2/c1-7-4-8(2)12-10(13)6-9(3)14-11(12)5-7/h4-6H,1-3H3,(H2,13,14)
• InChIKey: BGNKCOXXDCIDPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5,7-trimethylquinolin-4-amine
• IUPAC Traditional name: 2,5,7-trimethylquinolin-4-amine
• Synonyms: 4-AMINO-2,5,7-TRIMETHYLQUINOLINE

Database IDs

• CAS Number: 689277-04-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6604953
• LogD (pH = 7.4): 1.0377532
• Log P: 2.4601874
• Molar Refractivity: 59.3536 cm^3
• Polarizability: 23.447254 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%