6,7-dimethylquinolin-4-amine

• ChemBase ID: 805180
• Molecular Formular: C11H12N2
• Molecular Mass: 172.22638
• Monoisotopic Mass: 172.10004839
• SMILES: c1(cc2c(cc1C)c(ccn2)N)C
• Canonical SMILES: Cc1cc2c(N)ccnc2cc1C
• InChI: InChI=1S/C11H12N2/c1-7-5-9-10(12)3-4-13-11(9)6-8(7)2/h3-6H,1-2H3,(H2,12,13)
• InChIKey: RVSUQWRJJVMGPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethylquinolin-4-amine
• IUPAC Traditional name: 6,7-dimethylquinolin-4-amine
• Synonyms: 4-AMINO-6,7-DIMETHYLQUINOLINE

Database IDs

• CAS Number: 948292-99-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.992063
• LogD (pH = 7.4): 1.2615623
• Log P: 2.3288174
• Molar Refractivity: 54.7621 cm^3
• Polarizability: 21.683884 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%