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Details

Stereochemistry ACHIRAL
Molecular Formula C7H18NO.Br
Molecular Weight 212.128
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,N-Diethyl-2-hydroxy-N-methylethan-1-aminium bromide

SMILES

[Br-].CC[N+](C)(CC)CCO

InChI

InChIKey=PNNKWTMBTSKGJR-UHFFFAOYSA-M
InChI=1S/C7H18NO.BrH/c1-4-8(3,5-2)6-7-9;/h9H,4-7H2,1-3H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula Br
Molecular Weight 79.904
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H18NO
Molecular Weight 132.2239
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 16:31:03 GMT 2025
Edited
by admin
on Wed Apr 02 16:31:03 GMT 2025
Record UNII
WUB89HH3VE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N,N-Diethyl-2-hydroxy-N-methylethan-1-aminium bromide
Systematic Name English
Diethyl(2-hydroxyethyl)methylammonium bromide
Preferred Name English
Ethanaminium, N,N-diethyl-2-hydroxy-N-methyl-, bromide
Systematic Name English
Ethanaminium, N,N-diethyl-2-hydroxy-N-methyl-, bromide (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
23066982
Created by admin on Wed Apr 02 16:31:03 GMT 2025 , Edited by admin on Wed Apr 02 16:31:03 GMT 2025
PRIMARY
FDA UNII
WUB89HH3VE
Created by admin on Wed Apr 02 16:31:03 GMT 2025 , Edited by admin on Wed Apr 02 16:31:03 GMT 2025
PRIMARY
CAS
5455-95-8
Created by admin on Wed Apr 02 16:31:03 GMT 2025 , Edited by admin on Wed Apr 02 16:31:03 GMT 2025
PRIMARY
EPA CompTox
DTXSID10630170
Created by admin on Wed Apr 02 16:31:03 GMT 2025 , Edited by admin on Wed Apr 02 16:31:03 GMT 2025
PRIMARY
Related Record Type Details
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