U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C13H30N.Br
Molecular Weight 280.288
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Decyltrimethylammonium bromide

SMILES

[Br-].CCCCCCCCCC[N+](C)(C)C

InChI

InChIKey=PLMFYJJFUUUCRZ-UHFFFAOYSA-M
InChI=1S/C13H30N.BrH/c1-5-6-7-8-9-10-11-12-13-14(2,3)4;/h5-13H2,1-4H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C13H30N
Molecular Weight 200.384
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:50:54 GMT 2025
Edited
by admin
on Tue Apr 01 19:50:54 GMT 2025
Record UNII
HE2Q73PXL4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-9951
Preferred Name English
Decyltrimethylammonium bromide
Systematic Name English
AI3-61499
Code English
1-Decanaminium, N,N,N-trimethyl-, bromide
Systematic Name English
N,N,N-Trimethyl-1-decanaminium bromide
Systematic Name English
n-Decyltrimethylammonium bromide
Systematic Name English
Ammonium, decyltrimethyl-, bromide
Systematic Name English
1-Decanaminium, N,N,N-trimethyl-, bromide (1:1)
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
218-219-7
Created by admin on Tue Apr 01 19:50:54 GMT 2025 , Edited by admin on Tue Apr 01 19:50:54 GMT 2025
PRIMARY
PUBCHEM
16388
Created by admin on Tue Apr 01 19:50:54 GMT 2025 , Edited by admin on Tue Apr 01 19:50:54 GMT 2025
PRIMARY
CAS
2082-84-0
Created by admin on Tue Apr 01 19:50:54 GMT 2025 , Edited by admin on Tue Apr 01 19:50:54 GMT 2025
PRIMARY
NSC
9951
Created by admin on Tue Apr 01 19:50:54 GMT 2025 , Edited by admin on Tue Apr 01 19:50:54 GMT 2025
PRIMARY
FDA UNII
HE2Q73PXL4
Created by admin on Tue Apr 01 19:50:54 GMT 2025 , Edited by admin on Tue Apr 01 19:50:54 GMT 2025
PRIMARY
EPA CompTox
DTXSID80883792
Created by admin on Tue Apr 01 19:50:54 GMT 2025 , Edited by admin on Tue Apr 01 19:50:54 GMT 2025
PRIMARY