2,6-dimethylquinolin-5-amine

• ChemBase ID: 30060
• Molecular Formular: C11H12N2
• Molecular Mass: 172.22638
• Monoisotopic Mass: 172.10004839
• SMILES: c12c(nc(cc2)C)ccc(c1N)C
• Canonical SMILES: Cc1ccc2c(n1)ccc(c2N)C
• InChI: InChI=1S/C11H12N2/c1-7-3-6-10-9(11(7)12)5-4-8(2)13-10/h3-6H,12H2,1-2H3
• InChIKey: SSJOWWYMHNQEMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethylquinolin-5-amine
• IUPAC Traditional name: 2,6-dimethylquinolin-5-amine
• Synonyms: 2,6-Dimethyl-quinolin-5-ylamine; 2,6-dimethyl-5-quinolinamine

Database IDs

• CAS Number: 116632-59-8
• MDL Number: MFCD00457007
• PubChem SID: 160993367
• PubChem CID: 5033687

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.309808
• LogD (pH = 7.4): 1.9279467
• Log P: 1.946766
• Molar Refractivity: 54.3124 cm^3
• Polarizability: 21.688423 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false