Product Name

  • Name

    2-{[2-(triethylammonio)ethyl]sulfanyl}-4,5-dihydro-1H-imidazol-1-ium dibromide

  • EINECS
  • CAS No. 34521-16-9
  • Density
  • Solubility
  • Melting Point
  • Formula C11H24N3S•Br•BrH
  • Boiling Point
  • Molecular Weight 391.27
  • Flash Point
  • Transport Information
  • Appearance
  • Safety Poison by subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of SOx, NOx, NH3, and HBr.
  • Risk Codes
  • Molecular Structure Molecular Structure of 34521-16-9 (2-{[2-(triethylammonio)ethyl]sulfanyl}-4,5-dihydro-1H-imidazol-1-ium dibromide)
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

Eteai Chemical Properties

Molecule structure of Eteai (CAS NO.34521-16-9) :

IUPAC Name: 2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethyl-triethylazanium dibromide 
Molecular Weight: 391.2093 g/mol
Molecular Formula: C11H25Br2N3S
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 7
Tautomer Count: 2
Exact Mass: 391.011547
MonoIsotopic Mass: 389.013594
Topological Polar Surface Area: 29
Heavy Atom Count: 17
Complexity: 204
Canonical SMILES: CC[N+](CC)(CC)CCSC1=NCC[NH2+]1.[Br-].[Br-]
InChI: InChI=1S/C11H24N3S.2BrH/c1-4-14(5-2,6-3)9-10-15-11-12-7-8-13-11;;/h4-10H2,1-3H3,(H,12,13);2*1H/q+1;;/p-1
InChIKey Eteai (CAS NO.34521-16-9) : VDVUOUADYAMNRG-UHFFFAOYSA-M

Eteai Toxicity Data With Reference

1.    

ipr-mus LD50:75 mg/kg

     CPBTAL    Chemical and Pharmaceutical Bulletin. 23 (1975),1639.
2.    

scu-mus LD50:109 mg/kg

     CPBTAL    Chemical and Pharmaceutical Bulletin. 23 (1975),1639.
3.    

ivn-mus LD50:53,900 µg/kg

     CPBTAL    Chemical and Pharmaceutical Bulletin. 23 (1975),1639.

Eteai Safety Profile

Poison by subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of SOx, NOx, NH3, and HBr.

Eteai Specification

 Eteai (CAS NO.34521-16-9) is also called (2-((4,5-Dihydro-1H-imidazol-2-yl)thio)ethyl)triethylammonium bromide hydrobromide ; 2-(2-Triethylaminoethylthio)-delta(sup 2)-imidazoline bromide hydrobromide ; Ethanaminium, 2-((4,5-dihydro-1H-imidazol-2-yl)-thio)-N,N,N-triethyl-, bromide, hydrobromide ; Ammonium, (2-((4,5-dihydro-1H-imidazol-2-
yl)thio)ethyl)triethyl)-, bromide, monohydrobromide .

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