(2-CYANOETHYL)TRIPHENYLPHOSPHONIUM IODIDE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H19NP.I
Molecular Weight	443.2605
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2-CYANOETHYL)TRIPHENYLPHOSPHONIUM IODIDE

Structure Search

SMILES

[I-].N#CCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=GSFHLWCIPHHCTL-UHFFFAOYSA-M

InChI=1S/C21H19NP.HI/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16H,10,18H2;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C21H19NP
Molecular Weight	316.356
Charge	1
Count

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

Molecular Formula	HI
Molecular Weight	127.9124
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 12:49:36 UTC 2023` Edited by `admin` on `Sat Dec 16 12:49:36 UTC 2023`
Record UNII	9QR443KQMX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2-CYANOETHYL)TRIPHENYLPHOSPHONIUM IODIDE

Systematic Name

English

NSC-116713

Code

English

PHOSPHONIUM, (2-CYANOETHYL)TRIPHENYL-, IODIDE

Systematic Name

English

PHOSPHONIUM, (2-CYANOETHYL)TRIPHENYL-, IODIDE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

24190923

Created by admin on Sat Dec 16 12:49:36 UTC 2023 , Edited by admin on Sat Dec 16 12:49:36 UTC 2023

PRIMARY

PUBCHEM

CAS

51353-40-3

Created by admin on Sat Dec 16 12:49:36 UTC 2023 , Edited by admin on Sat Dec 16 12:49:36 UTC 2023

PRIMARY

FDA UNII

9QR443KQMX

Created by admin on Sat Dec 16 12:49:36 UTC 2023 , Edited by admin on Sat Dec 16 12:49:36 UTC 2023

PRIMARY

EPA CompTox

DTXSID20199349

Created by admin on Sat Dec 16 12:49:36 UTC 2023 , Edited by admin on Sat Dec 16 12:49:36 UTC 2023

PRIMARY

NSC

116713

Created by admin on Sat Dec 16 12:49:36 UTC 2023 , Edited by admin on Sat Dec 16 12:49:36 UTC 2023

PRIMARY

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