[(8-bromoquinolin-4-yl)methyl](methyl)amine

• ChemBase ID: 52791
• Molecular Formular: C11H11BrN2
• Molecular Mass: 251.12244
• Monoisotopic Mass: 250.01056036
• SMILES: c1cc(c2c(c1)c(ccn2)CNC)Br
• Canonical SMILES: CNCc1ccnc2c1cccc2Br
• InChI: InChI=1S/C11H11BrN2/c1-13-7-8-5-6-14-11-9(8)3-2-4-10(11)12/h2-6,13H,7H2,1H3
• InChIKey: RRNDUQFEKZZHHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(8-bromoquinolin-4-yl)methyl](methyl)amine
• IUPAC Traditional name: [(8-bromoquinolin-4-yl)methyl](methyl)amine
• Synonyms: 1-(8-Bromoquinolin-4-yl)-N-methylmethanamine

Database IDs

• MDL Number: MFCD12024576
• PubChem SID: 162057554
• PubChem CID: 46835715

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7453882
• LogD (pH = 7.4): 0.13829647
• Log P: 2.4580019
• Molar Refractivity: 60.8501 cm^3
• Polarizability: 24.813236 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%