OCTADECYLTRIMETHYLAMMONIUM STEARATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H46N.C18H35O2
Molecular Weight	596.0659
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of OCTADECYLTRIMETHYLAMMONIUM STEARATE

Structure Search

SMILES

CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC[N+](C)(C)C

InChI

InChIKey=DTSCWNFJDVLSFY-UHFFFAOYSA-M

InChI=1S/C21H46N.C18H36O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-21H2,1-4H3;2-17H2,1H3,(H,19,20)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C21H46N
Molecular Weight	312.5966
Charge	1
Count

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

Molecular Formula	C18H35O2
Molecular Weight	283.4693
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 `Fri Dec 15 17:44:01 UTC 2023` Edited by `admin` on `Fri Dec 15 17:44:01 UTC 2023`
Record UNII	4XO6THZ0QU
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

OCTADECYLTRIMETHYLAMMONIUM STEARATE

Systematic Name

English

Code System Code Type Description

FDA UNII

4XO6THZ0QU

Created by admin on Fri Dec 15 17:44:01 UTC 2023 , Edited by admin on Fri Dec 15 17:44:01 UTC 2023

PRIMARY

EPA CompTox

DTXSID70226351

Created by admin on Fri Dec 15 17:44:01 UTC 2023 , Edited by admin on Fri Dec 15 17:44:01 UTC 2023

PRIMARY

CAS

7542-20-3

Created by admin on Fri Dec 15 17:44:01 UTC 2023 , Edited by admin on Fri Dec 15 17:44:01 UTC 2023

PRIMARY

PUBCHEM

24175

Created by admin on Fri Dec 15 17:44:01 UTC 2023 , Edited by admin on Fri Dec 15 17:44:01 UTC 2023

PRIMARY

Related Record Type Details


					4ELV7Z65AP

Stearic acid

PARENT -> SALT/SOLVATE