2-METHYLDODECYLXYLELENE BIS(TRIMETHYLAMMONIUM CHLORIDE)

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H52N2.2Cl
Molecular Weight	475.621
Optical Activity	NONE
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-METHYLDODECYLXYLELENE BIS(TRIMETHYLAMMONIUM CHLORIDE)

Structure Search

SMILES

[Cl-].[Cl-].CCCCCCCCCCCCC1=CC(C[N+](C)(C)C)=C(C)C(C[N+](C)(C)C)=C1

InChI

InChIKey=TZONKZYJDZZXHR-UHFFFAOYSA-L

InChI=1S/C27H52N2.2ClH/c1-9-10-11-12-13-14-15-16-17-18-19-25-20-26(22-28(3,4)5)24(2)27(21-25)23-29(6,7)8;;/h20-21H,9-19,22-23H2,1-8H3;2*1H/q+2;;/p-2

HIDE SMILES / InChI

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

Molecular Formula	C27H52N2
Molecular Weight	404.7152
Charge	2
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:00:03 GMT 2025` Edited by `admin` on `Mon Mar 31 23:00:03 GMT 2025`
Record UNII	GZ50BZ0172
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PACOMA

Preferred Name

English

2-METHYLDODECYLXYLELENE BIS(TRIMETHYLAMMONIUM CHLORIDE)

Common Name

English

J2.679.765I

Code

English

(DODECYLMETHYLXYLYLENE)BIS(TRIMETHYLAMMONIUM CHLORIDE)

Common Name

English

((5-DODECYL-2-METHYL-M-PHENYLENE)DIMETHYLENE)BIS(TRIMETHYLAMMONIUM CHLORIDE)

Common Name

English

1,3-BENZENEDIMETHANAMINIUM, 5-DODECYL-N1,N1,N1,N3,N3,N3,2-HEPTAMETHYL-, CHLORIDE (1:2)

Systematic Name

English

Code System Code Type Description

CAS

90128-65-7

Created by admin on Mon Mar 31 23:00:03 GMT 2025 , Edited by admin on Mon Mar 31 23:00:03 GMT 2025

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PUBCHEM

118796519

Created by admin on Mon Mar 31 23:00:03 GMT 2025 , Edited by admin on Mon Mar 31 23:00:03 GMT 2025

PRIMARY

FDA UNII

GZ50BZ0172

Created by admin on Mon Mar 31 23:00:03 GMT 2025 , Edited by admin on Mon Mar 31 23:00:03 GMT 2025

PRIMARY

EPA CompTox

DTXSID20872943

Created by admin on Mon Mar 31 23:00:03 GMT 2025 , Edited by admin on Mon Mar 31 23:00:03 GMT 2025

PRIMARY

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