Dimethyldibenzylammonium chloride

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H20N.Cl
Molecular Weight	261.79
Optical Activity	NONE
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Dimethyldibenzylammonium chloride

Structure Search

SMILES

[Cl-].C[N+](C)(CC1=CC=CC=C1)CC2=CC=CC=C2

InChI

InChIKey=LCXAARCEIWRIMU-UHFFFAOYSA-M

InChI=1S/C16H20N.ClH/c1-17(2,13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16;/h3-12H,13-14H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C16H20N
Molecular Weight	226.3367
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	NONE

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 `Tue Apr 01 19:48:36 GMT 2025` Edited by `admin` on `Tue Apr 01 19:48:36 GMT 2025`
Record UNII	7QFJ58C47V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Dimethyldibenzylammonium chloride

Systematic Name

English

NSC-77

Preferred Name

English

Benzenemethanaminium, N,N-dimethyl-N-(phenylmethyl)-, chloride

Systematic Name

English

Benzenemethanaminium, N,N-dimethyl-N-(phenylmethyl)-, chloride (1:1)

Common Name

English

Ammonium, dibenzyldimethyl-, chloride

Systematic Name

English

Code System Code Type Description

PUBCHEM

101569

Created by admin on Tue Apr 01 19:48:36 GMT 2025 , Edited by admin on Tue Apr 01 19:48:36 GMT 2025

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ECHA (EC/EINECS)

202-903-7

Created by admin on Tue Apr 01 19:48:36 GMT 2025 , Edited by admin on Tue Apr 01 19:48:36 GMT 2025

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CAS

100-94-7

Created by admin on Tue Apr 01 19:48:36 GMT 2025 , Edited by admin on Tue Apr 01 19:48:36 GMT 2025

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FDA UNII

7QFJ58C47V

Created by admin on Tue Apr 01 19:48:36 GMT 2025 , Edited by admin on Tue Apr 01 19:48:36 GMT 2025

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NSC

77

Created by admin on Tue Apr 01 19:48:36 GMT 2025 , Edited by admin on Tue Apr 01 19:48:36 GMT 2025

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EPA CompTox

DTXSID00883274

Created by admin on Tue Apr 01 19:48:36 GMT 2025 , Edited by admin on Tue Apr 01 19:48:36 GMT 2025

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