6-bromo-2-methylquinolin-4-amine

• ChemBase ID: 816216
• Molecular Formular: C10H9BrN2
• Molecular Mass: 237.09586
• Monoisotopic Mass: 235.9949103
• SMILES: c1cc2c(cc1Br)c(cc(n2)C)N
• Canonical SMILES: Brc1ccc2c(c1)c(N)cc(n2)C
• InChI: InChI=1S/C10H9BrN2/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,1H3,(H2,12,13)
• InChIKey: XXMSKHOXTXOECY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-methylquinolin-4-amine
• IUPAC Traditional name: 6-bromo-2-methylquinolin-4-amine
• Synonyms: 4-AMINO-6-BROMO-2-METHYLQUINOLINE

Database IDs

• CAS Number: 96938-26-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.48141012
• LogD (pH = 7.4): 1.5648806
• Log P: 2.2020974
• Molar Refractivity: 56.894 cm^3
• Polarizability: 22.516518 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%