Cas no 397844-52-9 (Boronic acid, [4-[[methyl(phenylmethyl)amino]methyl]phenyl]-)

Boronic acid, [4-[[methyl(phenylmethyl)amino]methyl]phenyl]- structure
397844-52-9 structure
Product Name:Boronic acid, [4-[[methyl(phenylmethyl)amino]methyl]phenyl]-
CAS No:397844-52-9
MF:C15H18BNO2
MW:255.119924068451
CID:1511045
PubChem ID:11807239
Update Time:2025-04-21

Boronic acid, [4-[[methyl(phenylmethyl)amino]methyl]phenyl]- Chemical and Physical Properties

Names and Identifiers

    • Boronic acid, [4-[[methyl(phenylmethyl)amino]methyl]phenyl]-
    • DB-160709
    • 397844-52-9
    • AKOS010796142
    • (4-((benzyl(methyl)amino)methyl)phenyl)boronic acid
    • (4-{[benzyl(methyl)amino]methyl}phenyl)boronic acid
    • SCHEMBL12663150
    • DTXSID701186777
    • Inchi: 1S/C15H18BNO2/c1-17(11-13-5-3-2-4-6-13)12-14-7-9-15(10-8-14)16(18)19/h2-10,18-19H,11-12H2,1H3
    • InChI Key: BQBAEKHBGDGIPB-UHFFFAOYSA-N
    • SMILES: OB(C1C=CC(=CC=1)CN(C)CC1C=CC=CC=1)O

Computed Properties

  • Exact Mass: 254.14674
  • Monoisotopic Mass: 255.1430590g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 249
  • 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: 43.7?2

Experimental Properties

  • PSA: 43.7
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