Cas no 17804-54-5 (4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N,N,N-trimethylanilinium iodide)

4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N,N,N-trimethylanilinium iodide structure
17804-54-5 structure
Product Name:4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N,N,N-trimethylanilinium iodide
CAS No:17804-54-5
MF:C13H15IN2O2
MW:358.174875497818
CID:1366093
PubChem ID:656709
Update Time:2025-04-20

4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N,N,N-trimethylanilinium iodide Chemical and Physical Properties

Names and Identifiers

    • 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N,N,N-trimethylanilinium iodide
    • [4-(2,5-dioxopyrrol-1-yl)phenyl]-trimethylazanium,iodide
    • 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N,N,N-trimethylbenzenaminium iodide
    • Benzenaminium, 4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-N,N,N-trimethyl-, iodide (1:1)
    • 17804-54-5
    • CHEBI:34382
    • G69229
    • Q27116032
    • 4-(N-Maleimido)phenyltrimethylammonium iodide
    • DTXSID20349645
    • 4-(2,5-dioxopyrrol-1-yl)-N,N,N-trimethylanilinium iodide
    • [4-(2,5-dioxopyrrol-1-yl)phenyl]-trimethylazanium;iodide
    • Inchi: 1S/C13H15N2O2.HI/c1-15(2,3)11-6-4-10(5-7-11)14-12(16)8-9-13(14)17;/h4-9H,1-3H3;1H/q+1;/p-1
    • InChI Key: BFXYMHXQRLNFAF-UHFFFAOYSA-M
    • SMILES: [I-].O=C1C=CC(N1C1C=CC(=CC=1)[N+](C)(C)C)=O

Computed Properties

  • Exact Mass: 358.01745
  • Monoisotopic Mass: 358.01783g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 342
  • 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
  • Topological Polar Surface Area: 37.4?2

Experimental Properties

  • PSA: 37.38
Recommended suppliers
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
TAIXING JOXIN BIO-TEC CO.,LTD.
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Henan Dongyan Pharmaceutical Co., Ltd