(2-bromoquinolin-3-yl)methanamine

• ChemBase ID: 802208
• Molecular Formular: C10H9BrN2
• Molecular Mass: 237.09586
• Monoisotopic Mass: 235.9949103
• SMILES: C(N)c1cc2c(cccc2)nc1Br
• Canonical SMILES: NCc1cc2ccccc2nc1Br
• InChI: InChI=1S/C10H9BrN2/c11-10-8(6-12)5-7-3-1-2-4-9(7)13-10/h1-5H,6,12H2
• InChIKey: RUNSWKDQMKHOPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromoquinolin-3-yl)methanamine
• IUPAC Traditional name: (2-bromoquinolin-3-yl)methanamine
• Synonyms: 1-(2-BROMOQUINOLIN-3-YL)METHANAMINE

Database IDs

• CAS Number: 292077-58-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6604803
• LogD (pH = 7.4): 0.6864748
• Log P: 2.2309434
• Molar Refractivity: 56.9177 cm^3
• Polarizability: 23.026808 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%