N,N,N',N'-TETRABUTYL-N,N'-DIETHYL-1,6-HEXANEDIAMINIUM BIS(ETHYL SULFATE)

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H58N2.2C2H5O4S
Molecular Weight	649.0
Optical Activity	NONE
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N,N,N',N'-TETRABUTYL-N,N'-DIETHYL-1,6-HEXANEDIAMINIUM BIS(ETHYL SULFATE)

Structure Search

SMILES

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

InChI

InChIKey=VYSDRTJTSAAZPP-UHFFFAOYSA-L

InChI=1S/C26H58N2.2C2H6O4S/c1-7-13-21-27(11-5,22-14-8-2)25-19-17-18-20-26-28(12-6,23-15-9-3)24-16-10-4;2*1-2-6-7(3,4)5/h7-26H2,1-6H3;2*2H2,1H3,(H,3,4,5)/q+2;;/p-2

HIDE SMILES / InChI

Molecular Formula	C26H58N2
Molecular Weight	398.7521
Charge	2
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C2H5O4S
Molecular Weight	125.124
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:20:04 GMT 2025` Edited by `admin` on `Mon Mar 31 22:20:04 GMT 2025`
Record UNII	4552L9Y55I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N,N,N',N'-TETRABUTYL-N,N'-DIETHYL-1,6-HEXANEDIAMINIUM BIS(ETHYL SULFATE)

Common Name

English

1,6-HEXANEDIAMINIUM, N,N,N',N'-TETRABUTYL-N,N'-DIETHYL-, BIS(ETHYL SULFATE)

Preferred Name

English

SULFURIC ACID, MONOETHYL ESTER, ION(1-), N,N,N',N'-TETRABUTYL-N,N'-DIETHYL-1,6-HEXANEDIAMINIUM (2:1)

Systematic Name

English

1,6-HEXANEDIAMINIUM, N1,N1,N6,N6-TETRABUTYL-N1,N6-DIETHYL-, ETHYL SULFATE (1:2)

Systematic Name

English

Code System Code Type Description

FDA UNII

4552L9Y55I

Created by admin on Mon Mar 31 22:20:04 GMT 2025 , Edited by admin on Mon Mar 31 22:20:04 GMT 2025

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PUBCHEM

106486

Created by admin on Mon Mar 31 22:20:04 GMT 2025 , Edited by admin on Mon Mar 31 22:20:04 GMT 2025

PRIMARY

EPA CompTox

DTXSID0028371

Created by admin on Mon Mar 31 22:20:04 GMT 2025 , Edited by admin on Mon Mar 31 22:20:04 GMT 2025

PRIMARY

CAS

68052-49-3

Created by admin on Mon Mar 31 22:20:04 GMT 2025 , Edited by admin on Mon Mar 31 22:20:04 GMT 2025

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Related Record Type Details


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N,N,N',N'-TETRABUTYL-N,N'-DIETHYL-1,6-HEXANEDIAMINIUM

PARENT -> SALT/SOLVATE