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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H32N.HO4S
Molecular Weight 311.481
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyltributylammonium hydrogen sulfate

SMILES

OS([O-])(=O)=O.CCCC[N+](CC)(CCCC)CCCC

InChI

InChIKey=ZVLLREDZJNHSGI-UHFFFAOYSA-M
InChI=1S/C14H32N.H2O4S/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;1-5(2,3)4/h5-14H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula HO4S
Molecular Weight 97.071
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C14H32N
Molecular Weight 214.4106
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:34:48 GMT 2023
Edited
by admin
on Sat Dec 16 12:34:48 GMT 2023
Record UNII
WRD8YXZ5DK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyltributylammonium hydrogen sulfate
Systematic Name English
1-Butanaminium, N,N-dibutyl-N-ethyl-, sulfate (1:1)
Systematic Name English
1-Butanaminium, N,N-dibutyl-N-ethyl-, sulfate
Systematic Name English
Code System Code Type Description
PUBCHEM
106488
Created by admin on Sat Dec 16 12:34:48 GMT 2023 , Edited by admin on Sat Dec 16 12:34:48 GMT 2023
PRIMARY
CAS
68052-50-6
Created by admin on Sat Dec 16 12:34:48 GMT 2023 , Edited by admin on Sat Dec 16 12:34:48 GMT 2023
PRIMARY
ECHA (EC/EINECS)
268-328-9
Created by admin on Sat Dec 16 12:34:48 GMT 2023 , Edited by admin on Sat Dec 16 12:34:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID0071045
Created by admin on Sat Dec 16 12:34:48 GMT 2023 , Edited by admin on Sat Dec 16 12:34:48 GMT 2023
PRIMARY
FDA UNII
WRD8YXZ5DK
Created by admin on Sat Dec 16 12:34:48 GMT 2023 , Edited by admin on Sat Dec 16 12:34:48 GMT 2023
PRIMARY