2-(STEAROYLOXY)ETHYLAMMONIUM ACETATE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H41NO2.C2H4O2
Molecular Weight	387.597
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(STEAROYLOXY)ETHYLAMMONIUM ACETATE

Structure Search

SMILES

CC(O)=O.CCCCCCCCCCCCCCCCCC(=O)OCCN

InChI

InChIKey=IXEHSPWRWPJJEY-UHFFFAOYSA-N

InChI=1S/C20H41NO2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21;1-2(3)4/h2-19,21H2,1H3;1H3,(H,3,4)

HIDE SMILES / InChI

Molecular Formula	C20H41NO2
Molecular Weight	327.545
Charge	0
Count

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

Molecular Formula	C2H4O2
Molecular Weight	60.052
Charge	0
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 11:59:28 GMT 2023` Edited by `admin` on `Sat Dec 16 11:59:28 GMT 2023`
Record UNII	XOO8FET96I
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2-(STEAROYLOXY)ETHYLAMMONIUM ACETATE

Systematic Name

English

OCTADECANOIC ACID, 2-AMINOETHYL ESTER, ACETATE (1:1)

Systematic Name

English

Code System Code Type Description

CAS

94213-54-4

Created by admin on Sat Dec 16 11:59:28 GMT 2023 , Edited by admin on Sat Dec 16 11:59:28 GMT 2023

PRIMARY

FDA UNII

XOO8FET96I

Created by admin on Sat Dec 16 11:59:28 GMT 2023 , Edited by admin on Sat Dec 16 11:59:28 GMT 2023

PRIMARY

PUBCHEM

3024045

Created by admin on Sat Dec 16 11:59:28 GMT 2023 , Edited by admin on Sat Dec 16 11:59:28 GMT 2023

PRIMARY

EPA CompTox

DTXSID70241064

Created by admin on Sat Dec 16 11:59:28 GMT 2023 , Edited by admin on Sat Dec 16 11:59:28 GMT 2023

PRIMARY

ECHA (EC/EINECS)

303-758-3

Created by admin on Sat Dec 16 11:59:28 GMT 2023 , Edited by admin on Sat Dec 16 11:59:28 GMT 2023

PRIMARY

Related Record Type Details


					A3TS9X8MEC

2-AMINOETHYL STEARATE

PARENT -> SALT/SOLVATE