Trimethylpropylammonium bromide

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H16N.Br
Molecular Weight	182.102
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Trimethylpropylammonium bromide

Structure Search

SMILES

[Br-].CCC[N+](C)(C)C

InChI

InChIKey=FCGQIZKUTMUWDC-UHFFFAOYSA-M

InChI=1S/C6H16N.BrH/c1-5-6-7(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	BrH
Molecular Weight	80.912
Charge	0
Count

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

Molecular Formula	C6H16N
Molecular Weight	102.1979
Charge	1
Count

Stereochemistry	RACEMIC
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 12:58:21 GMT 2023` Edited by `admin` on `Sat Dec 16 12:58:21 GMT 2023`
Record UNII	FWF6WK28J5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Trimethylpropylammonium bromide

Systematic Name

English

Propyltrimethylammonium bromide

Common Name

English

1-Propanaminium, N,N,N-trimethyl-, bromide (1:1)

Systematic Name

English

1-Propanaminium, N,N,N-trimethyl-, bromide

Systematic Name

English

NSC-97198

Code

English

Trimethyl(propyl)azanium;bromide

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80883878

Created by admin on Sat Dec 16 12:58:21 GMT 2023 , Edited by admin on Sat Dec 16 12:58:21 GMT 2023

PRIMARY

PUBCHEM

75853

Created by admin on Sat Dec 16 12:58:21 GMT 2023 , Edited by admin on Sat Dec 16 12:58:21 GMT 2023

PRIMARY

NSC

97198

Created by admin on Sat Dec 16 12:58:21 GMT 2023 , Edited by admin on Sat Dec 16 12:58:21 GMT 2023

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CAS

2650-50-2

Created by admin on Sat Dec 16 12:58:21 GMT 2023 , Edited by admin on Sat Dec 16 12:58:21 GMT 2023

PRIMARY

ECHA (EC/EINECS)

220-172-2

Created by admin on Sat Dec 16 12:58:21 GMT 2023 , Edited by admin on Sat Dec 16 12:58:21 GMT 2023

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FDA UNII

FWF6WK28J5

Created by admin on Sat Dec 16 12:58:21 GMT 2023 , Edited by admin on Sat Dec 16 12:58:21 GMT 2023

PRIMARY

Related Record Type Details


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Trimethyl(propyl)azanium

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Amount: