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Details

Stereochemistry ACHIRAL
Molecular Formula C27H52N2
Molecular Weight 404.7152
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 2

SHOW SMILES / InChI
Structure of 2-METHYLDODECYLXYLELENE BIS(TRIMETHYLAMMONIUM)

SMILES

CCCCCCCCCCCCC1=CC(C[N+](C)(C)C)=C(C)C(C[N+](C)(C)C)=C1

InChI

InChIKey=WLKJGBPEKSXRKB-UHFFFAOYSA-N
InChI=1S/C27H52N2/c1-9-10-11-12-13-14-15-16-17-18-19-25-20-26(22-28(3,4)5)24(2)27(21-25)23-29(6,7)8/h20-21H,9-19,22-23H2,1-8H3/q+2

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2-METHYLDODECYLXYLELENE BIS(TRIMETHYLAMMONIUM)
Common Name English
1,3-BENZENEDIMETHANAMINIUM, 5-DODECYL-N,N,N,N',N',N',2-HEPTAMETHYL-
Systematic Name English
1,3-BENZENEDIMETHANAMINIUM, 5-DODECYL-N1,N1,N1,N3,N3,N3,2-HEPTAMETHYL-
Systematic Name English
((5-DODECYL-2-METHYL-M-PHENYLENE)DIMETHYLENE)BIS(TRIMETHYLAMMONIUM)
Systematic Name English
(DODECYLMETHYLXYLYLENE)BIS(TRIMETHYLAMMONIUM)
Systematic Name English
Code System Code Type Description
FDA UNII
63KHY2YCJ3
Created by admin on Sat Dec 16 10:04:26 GMT 2023 , Edited by admin on Sat Dec 16 10:04:26 GMT 2023
PRIMARY
PUBCHEM
118796497
Created by admin on Sat Dec 16 10:04:26 GMT 2023 , Edited by admin on Sat Dec 16 10:04:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID80872944
Created by admin on Sat Dec 16 10:04:26 GMT 2023 , Edited by admin on Sat Dec 16 10:04:26 GMT 2023
PRIMARY
CAS
767586-00-5
Created by admin on Sat Dec 16 10:04:26 GMT 2023 , Edited by admin on Sat Dec 16 10:04:26 GMT 2023
PRIMARY
NIH
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