(6-bromoquinolin-2-yl)methanamine

• ChemBase ID: 800389
• Molecular Formular: C10H9BrN2
• Molecular Mass: 237.09586
• Monoisotopic Mass: 235.9949103
• SMILES: C(N)c1ccc2c(ccc(c2)Br)n1
• Canonical SMILES: NCc1ccc2c(n1)ccc(c2)Br
• InChI: InChI=1S/C10H9BrN2/c11-8-2-4-10-7(5-8)1-3-9(6-12)13-10/h1-5H,6,12H2
• InChIKey: BKBFDKKIZGWBDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-bromoquinolin-2-yl)methanamine
• IUPAC Traditional name: (6-bromoquinolin-2-yl)methanamine
• Synonyms: (6-bromoquinolin-2-yl)methanamine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.62942
• LogD (pH = 7.4): 0.9413141
• Log P: 2.1068935
• Molar Refractivity: 55.5533 cm^3
• Polarizability: 22.969381 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%