BEHENOYL PG-TRIMONIUM CHLORIDE

Details

Stereochemistry	RACEMIC
Molecular Formula	C28H58NO3.Cl
Molecular Weight	492.218
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BEHENOYL PG-TRIMONIUM CHLORIDE

Structure Search

SMILES

[Cl-].CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)C[N+](C)(C)C

InChI

InChIKey=GGFDFNHQSGONII-UHFFFAOYSA-M

InChI=1S/C28H58NO3.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(31)32-26-27(30)25-29(2,3)4;/h27,30H,5-26H2,1-4H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C28H57NO3
Molecular Weight	455.7571
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Molecular Formula	ClH
Molecular Weight	36.461
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 01:27:00 GMT 2023` Edited by `admin` on `Sat Dec 16 01:27:00 GMT 2023`
Record UNII	79O72LEW2A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BEHENOYL PG-TRIMONIUM CHLORIDE

Official Name

English

QUARTAMIN BTC 131

Brand Name

English

(3-BEHENOYLOXY-2-HYDROXYPROPYL)TRIMETHYL AMMONIUM CHLORIDE

Systematic Name

English

AKYPOQUAT 131

Brand Name

English

BEHENOYL PG-TRIMONIUM CHLORIDE [INCI]

Common Name

English

(3-BEHENOYLOXY-2-HYDROXYPROPYL)TRIMETHYLAMMONIUM CHLORIDE

Systematic Name

English

(±)-BEHENOYL PG-TRIMONIUM CHLORIDE

Common Name

English

1-PROPANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-3-((1-OXODOCOSYL)OXY)-, CHLORIDE

Systematic Name

English

1-PROPANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-3-((1-OXODOCOSYL)OXY)-, CHLORIDE (1:1)

Systematic Name

English

BEHENOYL PG-TRIMONIUM CHLORIDE, (±)-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID00989508