Cas no 373384-20-4 (Benzenemethanaminium,4-borono-N,N,N-trimethyl-, bromide (9CI))

Benzenemethanaminium,4-borono-N,N,N-trimethyl-, bromide (9CI) structure
373384-20-4 structure
Product Name:Benzenemethanaminium,4-borono-N,N,N-trimethyl-, bromide (9CI)
CAS No:373384-20-4
MF:C10H17BBrNO2
MW:273.962482213974
CID:293397
PubChem ID:2734391
Update Time:2025-04-19

Benzenemethanaminium,4-borono-N,N,N-trimethyl-, bromide (9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanaminium,4-borono-N,N,N-trimethyl-, bromide (9CI)
    • (4-boronophenyl)methyl-trimethylazanium,bromide
    • 4-(TRIMETHYLAMMONIUM)METHYLPHENYLBORONIC ACID BROMIDE SALT
    • (4-boronophenyl)methyl-trimethylammonium bromide
    • [4-(Dihydroxyboryl)phenyl]-N,N,N-trimethylmethanaminium bromide
    • 4-(Trimethylammonium)methylbenzeneboronic acid bromide salt
    • OR3888
    • 373384-20-4
    • DTXSID50370280
    • A823604
    • 1-(4-BORONOPHENYL)-N,N,N-TRIMETHYLMETHANAMINIUM BROMIDE
    • (4-Boronophenyl)-N,N,N-trimethylmethanaminium bromide
    • (4-boronophenyl)methyl-trimethylazanium;bromide
    • FT-0617690
    • AB08896
    • Inchi: 1S/C10H17BNO2.BrH/c1-12(2,3)8-9-4-6-10(7-5-9)11(13)14;/h4-7,13-14H,8H2,1-3H3;1H/q+1;/p-1
    • InChI Key: IHBGLJOCLJGBJI-UHFFFAOYSA-M
    • SMILES: [Br-].OB(C1C=CC(=CC=1)C[N+](C)(C)C)O

Computed Properties

  • Exact Mass: 273.05400
  • Monoisotopic Mass: 273.054
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 172
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 40.5A^2

Experimental Properties

  • Color/Form: powder
  • PSA: 40.46000
  • LogP: -3.42340
  • Solubility: Not available

Benzenemethanaminium,4-borono-N,N,N-trimethyl-, bromide (9CI) Security Information

  • Safety Instruction: S26-S37/39
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38
  • Safety Term:S26;S37/39
  • Storage Condition:0-6°C
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