(7-bromoquinolin-2-yl)methanamine

• ChemBase ID: 814346
• Molecular Formular: C10H9BrN2
• Molecular Mass: 237.09586
• Monoisotopic Mass: 235.9949103
• SMILES: C(N)c1ccc2c(cc(cc2)Br)n1
• Canonical SMILES: NCc1ccc2c(n1)cc(cc2)Br
• InChI: InChI=1S/C10H9BrN2/c11-8-3-1-7-2-4-9(6-12)13-10(7)5-8/h1-5H,6,12H2
• InChIKey: PXRZYXGLMKERJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (7-bromoquinolin-2-yl)methanamine
• IUPAC Traditional name: (7-bromoquinolin-2-yl)methanamine
• Synonyms: (7-bromoquinolin-2-yl)methanamine

Database IDs

• CAS Number: 1196153-88-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6300899
• LogD (pH = 7.4): 0.94007635
• Log P: 2.1068935
• Molar Refractivity: 55.5533 cm^3
• Polarizability: 22.969751 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%