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Details

Stereochemistry RACEMIC
Molecular Formula C19H19F23NO3.I
Molecular Weight 873.2268
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of [Bis(2-hydroxyethyl)][2-hydroxy-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-icosafluoro-12-(trifluoromethyl)tridecan-1-yl]methylammonium iodide

SMILES

[I-].C[N+](CCO)(CCO)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F

InChI

InChIKey=ACIXJWKFKMGNIK-UHFFFAOYSA-M
InChI=1S/C19H19F23NO3.HI/c1-43(2-4-44,3-5-45)7-8(46)6-9(20,21)11(23,24)13(27,28)15(31,32)17(35,36)16(33,34)14(29,30)12(25,26)10(22,18(37,38)39)19(40,41)42;/h8,44-46H,2-7H2,1H3;1H/q+1;/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
1-Tridecanaminium, 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-eicosafluoro-2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyl-12-(trifluoromethyl)-, iodide (1:1)
Preferred Name English
[Bis(2-hydroxyethyl)][2-hydroxy-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-icosafluoro-12-(trifluoromethyl)tridecan-1-yl]methylammonium iodide
Systematic Name English
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-Eicosafluoro-2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyl-12-(trifluoromethyl)-1-tridecanaminium iodide
Systematic Name English
Code System Code Type Description
CAS
94159-77-0
Created by admin on Wed Apr 02 19:35:26 GMT 2025 , Edited by admin on Wed Apr 02 19:35:26 GMT 2025
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FDA UNII
W35E2Q2TFK
Created by admin on Wed Apr 02 19:35:26 GMT 2025 , Edited by admin on Wed Apr 02 19:35:26 GMT 2025
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PUBCHEM
21149802
Created by admin on Wed Apr 02 19:35:26 GMT 2025 , Edited by admin on Wed Apr 02 19:35:26 GMT 2025
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EPA CompTox
DTXSID90881148
Created by admin on Wed Apr 02 19:35:26 GMT 2025 , Edited by admin on Wed Apr 02 19:35:26 GMT 2025
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