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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H20NO2.Cl
Molecular Weight 221.724
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethanaminium, N,N-diethyl-N-methyl-2-[(1-oxo-2-propen-1-yl)oxy]-, chloride (1:1)

SMILES

[Cl-].CC[N+](C)(CC)CCOC(=O)C=C

InChI

InChIKey=UWGDUZWWQJDYBU-UHFFFAOYSA-M
InChI=1S/C10H20NO2.ClH/c1-5-10(12)13-9-8-11(4,6-2)7-3;/h5H,1,6-9H2,2-4H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula Cl
Molecular Weight 35.453
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H20NO2
Molecular Weight 186.2713
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 Sat Dec 16 18:26:15 GMT 2023
Edited
by admin
on Sat Dec 16 18:26:15 GMT 2023
Record UNII
67KP6V8P8S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethanaminium, N,N-diethyl-N-methyl-2-[(1-oxo-2-propen-1-yl)oxy]-, chloride (1:1)
Systematic Name English
Ethanaminium, N,N-diethyl-N-methyl-2-[(1-oxo-2-propenyl)oxy]-, chloride
Common Name English
Diethylmethyl(2-((1-oxoallyl)oxy)ethyl)ammonium chloride
Systematic Name English
Code System Code Type Description
FDA UNII
67KP6V8P8S
Created by admin on Sat Dec 16 18:26:15 GMT 2023 , Edited by admin on Sat Dec 16 18:26:15 GMT 2023
PRIMARY
PUBCHEM
21149510
Created by admin on Sat Dec 16 18:26:15 GMT 2023 , Edited by admin on Sat Dec 16 18:26:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID50984366
Created by admin on Sat Dec 16 18:26:15 GMT 2023 , Edited by admin on Sat Dec 16 18:26:15 GMT 2023
PRIMARY
CAS
65895-95-6
Created by admin on Sat Dec 16 18:26:15 GMT 2023 , Edited by admin on Sat Dec 16 18:26:15 GMT 2023
PRIMARY