2,8-dimethylquinolin-4-amine

• ChemBase ID: 806769
• Molecular Formular: C11H12N2
• Molecular Mass: 172.22638
• Monoisotopic Mass: 172.10004839
• SMILES: c1c(c2c(cc1)c(cc(n2)C)N)C
• Canonical SMILES: Cc1cc(N)c2c(n1)c(C)ccc2
• InChI: InChI=1S/C11H12N2/c1-7-4-3-5-9-10(12)6-8(2)13-11(7)9/h3-6H,1-2H3,(H2,12,13)
• InChIKey: KKAHYNSPPVCKKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,8-dimethylquinolin-4-amine
• IUPAC Traditional name: 2,8-dimethylquinolin-4-amine
• Synonyms: 4-AMINO-2,8-DIMETHYLQUINOLINE

Database IDs

• CAS Number: 51617-12-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.15275346
• LogD (pH = 7.4): 0.6743482
• Log P: 1.946766
• Molar Refractivity: 54.3124 cm^3
• Polarizability: 21.68568 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%