7-bromo-3-methylquinolin-2-amine

• ChemBase ID: 816086
• Molecular Formular: C10H9BrN2
• Molecular Mass: 237.09586
• Monoisotopic Mass: 235.9949103
• SMILES: c1(cc2c(cc1)cc(c(n2)N)C)Br
• Canonical SMILES: Brc1ccc2c(c1)nc(c(c2)C)N
• InChI: InChI=1S/C10H9BrN2/c1-6-4-7-2-3-8(11)5-9(7)13-10(6)12/h2-5H,1H3,(H2,12,13)
• InChIKey: SGLHAHWYCTYAKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-3-methylquinolin-2-amine
• IUPAC Traditional name: 7-bromo-3-methylquinolin-2-amine
• Synonyms: 2-AMINO-7-BROMO-3-METHYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.745001
• LogD (pH = 7.4): 3.169105
• Log P: 3.178606
• Molar Refractivity: 57.6572 cm^3
• Polarizability: 22.518358 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%