Cas no 915411-85-7 (3-Pyridinamine, N-(3-bromo-5-methylphenyl)-)

3-Pyridinamine, N-(3-bromo-5-methylphenyl)- structure
915411-85-7 structure
Product Name:3-Pyridinamine, N-(3-bromo-5-methylphenyl)-
CAS No:915411-85-7
MF:C12H11BrN2
MW:263.133141756058
CID:1965642
Update Time:2024-12-27

3-Pyridinamine, N-(3-bromo-5-methylphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinamine, N-(3-bromo-5-methylphenyl)-
    • Inchi: 1S/C12H11BrN2/c1-9-5-10(13)7-12(6-9)15-11-3-2-4-14-8-11/h2-8,15H,1H3
    • InChI Key: VISQEHQUYBTFNF-UHFFFAOYSA-N
    • SMILES: C1=NC=CC=C1NC1=CC(C)=CC(Br)=C1

Computed Properties

  • Exact Mass: 262.011
  • Monoisotopic Mass: 262.011
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 198
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 24.9A^2

Experimental Properties

  • Density: 1.452±0.06 g/cm3(Predicted)
  • Boiling Point: 369.6±32.0 °C(Predicted)
  • pka: 5.48±0.11(Predicted)
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