6,8-dibromo-2-methylquinolin-4-amine

• ChemBase ID: 806768
• Molecular Formular: C10H8Br2N2
• Molecular Mass: 315.99192
• Monoisotopic Mass: 313.90542227
• SMILES: c1c(c2c(cc1Br)c(cc(n2)C)N)Br
• Canonical SMILES: Brc1cc(Br)c2c(c1)c(N)cc(n2)C
• InChI: InChI=1S/C10H8Br2N2/c1-5-2-9(13)7-3-6(11)4-8(12)10(7)14-5/h2-4H,1H3,(H2,13,14)
• InChIKey: IXZLFYGREGHTRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,8-dibromo-2-methylquinolin-4-amine
• IUPAC Traditional name: 6,8-dibromo-2-methylquinolin-4-amine
• Synonyms: 4-AMINO-6,8-DIBROMO-2-METHYLQUINOLINE

Database IDs

• CAS Number: 96938-27-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8110611
• LogD (pH = 7.4): 2.88652
• Log P: 2.97085
• Molar Refractivity: 64.5168 cm^3
• Polarizability: 25.448166 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%