Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed N   > N-(2-((2-((2-((2-Aminoethyl)amino)ethyl)amino)ethyl)amino)ethyl)octadec-9-enamide monoacetate
93942-19-9 structure

N-(2-((2-((2-((2-Aminoethyl)amino)ethyl)amino)ethyl)amino)ethyl)octadec-9-enamide monoacetate

Iupac Name:acetic acid;(E)-N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]octadec-9-enamide
CAS No.:93942-19-9
EINECS(EC#): 300-569-8
Molecular Weight:513.812
Molecular Formula:C28H59N5O3 (isomer)
Names and Identifiers
Synonyms

(9e)-n-(2-{[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amino}ethyl)octadec-9-enamide acetic acid einecs 300-569-8 n-[2-[[2-[[2-[ amino]ethyl]amino]ethyl]amino]ethyl]octadec-9-enamidemonoacetate n-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]octadec-9-enamide monoacetate

Inchi
InChI=1S/C26H55N5O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)31-25-24-30-23-22-29-21-20-28-19-18-27;1-2(3)4/h9-10,28-30H,2-8,11-25,27H2,1H3,(H,31,32);1H3,(H,3,4)/b10-9+;
InChkey
YSHRZHNEHCVVTQ-RRABGKBLSA-N
Canonical Smiles
CCCCCCCCC=CCCCCCCCC(=O)NCCNCCNCCNCCN.CC(=O)O
Isomers Smiles
CCCCCCCC/C=C/CCCCCCCC(=O)NCCNCCNCCNCCN
Properties
Boiling Point
692.6°Cat760mmHg
Flash Point
372.7°C
Computational chemical data
  • Molecular Weight:513.812g/mol
  • Molecular Formula:C28H59N5O3
  • Compound Is Canonicalized:True
  • Exact Mass:513.462
  • Monoisotopic Mass:513.462
  • Complexity:435
  • Rotatable Bond Count:26
  • Hydrogen Bond Donor Count:6
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:129A^2
  • Heavy Atom Count:36
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADcfB7sAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACADBgAQCCALAAgCI ACHSGAAAAAAgAAAICIEIAAgAQBIAgQAUAAAAlgCIAAMYiICAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:+49-9402-9336 0
  • Fax:+49-9402-933 613
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:+(44) 1492 539 645
  • Fax:+(44) 1492 539 645
Recommended Suppliers
  • Tel:+49-9402-9336 0
  • Fax:+49-9402-933 613
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:+(44) 1492 539 645
  • Fax:+(44) 1492 539 645
 
<