(3-Cyanopropyl)triphenylphosphonium bromide

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H21NP.Br
Molecular Weight	410.287
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (3-Cyanopropyl)triphenylphosphonium bromide

Structure Search

SMILES

[Br-].N#CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=PAOHMIPLGDOHBB-UHFFFAOYSA-M

InChI=1S/C22H21NP.BrH/c23-18-10-11-19-24(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,19H2;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	Br
Molecular Weight	79.904
Charge	-1
Count

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

Molecular Formula	C22H21NP
Molecular Weight	330.3826
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 `Tue Apr 01 20:04:12 GMT 2025` Edited by `admin` on `Tue Apr 01 20:04:12 GMT 2025`
Record UNII	B8BRE5W9W5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-131459

Preferred Name

English

(3-Cyanopropyl)triphenylphosphonium bromide

Systematic Name

English

Phosphonium, (3-cyanopropyl)triphenyl-, bromide

Systematic Name

English

Code System Code Type Description

NSC

131459

Created by admin on Tue Apr 01 20:04:12 GMT 2025 , Edited by admin on Tue Apr 01 20:04:12 GMT 2025

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FDA UNII

B8BRE5W9W5

Created by admin on Tue Apr 01 20:04:12 GMT 2025 , Edited by admin on Tue Apr 01 20:04:12 GMT 2025

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PUBCHEM

3036619

Created by admin on Tue Apr 01 20:04:12 GMT 2025 , Edited by admin on Tue Apr 01 20:04:12 GMT 2025

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EPA CompTox

DTXSID20998718

Created by admin on Tue Apr 01 20:04:12 GMT 2025 , Edited by admin on Tue Apr 01 20:04:12 GMT 2025

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CAS

7752-62-7

Created by admin on Tue Apr 01 20:04:12 GMT 2025 , Edited by admin on Tue Apr 01 20:04:12 GMT 2025

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Related Record Type Details


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(3-Cyanopropyl)triphenylphosphonium

PARENT -> SALT/SOLVATE

Amount: