Cas no 5350-42-5 (Benzenemethanaminium,N,N,N-trimethyl-a-oxo-,bromide (1:1))

Benzenemethanaminium,N,N,N-trimethyl-a-oxo-,bromide (1:1) structure
5350-42-5 structure
Product Name:Benzenemethanaminium,N,N,N-trimethyl-a-oxo-,bromide (1:1)
CAS No:5350-42-5
MF:C10H14BrNO
MW:244.128262042999
CID:383244
PubChem ID:20439189
Update Time:2025-04-19

Benzenemethanaminium,N,N,N-trimethyl-a-oxo-,bromide (1:1) Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanaminium,N,N,N-trimethyl-a-oxo-,bromide (1:1)
    • benzoyl(trimethyl)azanium
    • AC1L8RMB
    • AG-F-83890
    • Ammonium,benzoyltrimethyl-, bromide (8CI)
    • Benzenemethanaminium, N,N,N-trimethyl-a-oxo-, bromide (9CI)
    • BENZOYL-TRIMETHYL-AZANIUM
    • CTK4J8256
    • 5350-42-5
    • NSC-25
    • NSC25
    • benzoyl(trimethyl)azanium;bromide
    • SCHEMBL11120892
    • Benzenemethanaminium,N,N-trimethyl-.alpha.-oxo-, bromide
    • Inchi： 1S/C10H14NO.BrH/c1-11(2,3)10(12)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1
    • InChI Key： UFJGAGFPFYQSCU-UHFFFAOYSA-M
    • SMILES： [Br-].O=C(C1C=CC=CC=1)[N+](C)(C)C

Computed Properties

  • Exact Mass: 164.10762
  • Monoisotopic Mass: 164.108
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 163
  • 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: 17.1?2
  • XLogP3: 1.7

Experimental Properties

  • Melting Point: 206 oC
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 17.07
  • LogP: -1.46300

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