Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed T   > triethyl-[6-(1-ethyl-5-methyl-pyrrolidin-2-yl)hexyl]azanium iodide hydroiodide
1255099-63-8 structure

triethyl-[6-(1-ethyl-5-methyl-pyrrolidin-2-yl)hexyl]azanium iodide hydroiodide

Iupac Name:2-bromo-4-chloro-N-methoxy-N-methylbenzamide
CAS No.:1255099-63-8
Molecular Weight:278.53
Molecular Formula:C12H11FN2 (isomer)
Names and Identifiers
Synonyms

AC1MIMD9 Ammonium, (6-(1-ethyl-2-methylpyrrolidin-1-yl)hexyl)triethyl-, diiodide LS-138387 Pyrrolidinium, 1-ethyl-2-methyl-1-(6-(triethylammonio)hexyl)-, diiodide triethyl-[6-(1-ethyl-5-methylpyrrolidin-2-yl)hexyl]azanium iodide hydroiodide

Inchi
InChI=1S/C9H9BrClNO2/c1-12(14-2)9(13)7-4-3-6(11)5-8(7)10/h3-5H,1-2H3
InChkey
ZZVVBYKBHDBUFV-UHFFFAOYSA-N
Canonical Smiles
CN(C(=O)C1=C(C=C(C=C1)Cl)Br)OC
Properties
Boiling Point
°Cat760mmHg
Flash Point
214.1°C
Computational chemical data
  • Molecular Weight:278.53g/mol
  • Molecular Formula:C12H11FN2
  • Compound Is Canonicalized:True
  • Exact Mass:276.951
  • Monoisotopic Mass:276.951
  • Complexity:215
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:29.5A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByMAAEEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgJEAAABrAKBmCYyAIIQAACI AiFSEACCAAAkBQQoiAEIBugIIDKBlxGEIQhgggAIi5cYiACOBAAAAABAgAAIAAAAAIEAAAAAAAAA AA==
 
<