7-bromo-2-methylquinolin-4-amine

• ChemBase ID: 805188
• Molecular Formular: C10H9BrN2
• Molecular Mass: 237.09586
• Monoisotopic Mass: 235.9949103
• SMILES: c1(cc2c(cc1)c(cc(n2)C)N)Br
• Canonical SMILES: Brc1ccc2c(c1)nc(cc2N)C
• InChI: InChI=1S/C10H9BrN2/c1-6-4-9(12)8-3-2-7(11)5-10(8)13-6/h2-5H,1H3,(H2,12,13)
• InChIKey: FAFPABCDYGZGQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-2-methylquinolin-4-amine
• IUPAC Traditional name: 7-bromo-2-methylquinolin-4-amine
• Synonyms: 4-AMINO-7-BROMO-2-METHYLQUINOLINE

Database IDs

• CAS Number: 948293-33-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.4480803
• LogD (pH = 7.4): 1.3931727
• Log P: 2.2020974
• Molar Refractivity: 56.894 cm^3
• Polarizability: 22.516874 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%