(6-bromoquinolin-3-yl)methanamine

• ChemBase ID: 814360
• Molecular Formular: C10H9BrN2
• Molecular Mass: 237.09586
• Monoisotopic Mass: 235.9949103
• SMILES: C(N)c1cc2c(ccc(c2)Br)nc1
• Canonical SMILES: NCc1cnc2c(c1)cc(cc2)Br
• InChI: InChI=1S/C10H9BrN2/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-4,6H,5,12H2
• InChIKey: RDWCOXPSCIAYJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-bromoquinolin-3-yl)methanamine
• IUPAC Traditional name: (6-bromoquinolin-3-yl)methanamine
• Synonyms: (6-bromoquinolin-3-yl)methanamine

Database IDs

• CAS Number: 1196154-63-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.91445744
• LogD (pH = 7.4): 0.28695202
• Log P: 2.0254216
• Molar Refractivity: 56.0755 cm^3
• Polarizability: 22.968637 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%