4,4'-TRIMETHYLENEDIOXYDIBENZONITRILE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H14N2O2
Molecular Weight	278.3053
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4,4'-TRIMETHYLENEDIOXYDIBENZONITRILE

Structure Search

SMILES

N#CC1=CC=C(OCCCOC2=CC=C(C=C2)C#N)C=C1

InChI

InChIKey=MFRPGHISIXEJAA-UHFFFAOYSA-N

InChI=1S/C17H14N2O2/c18-12-14-2-6-16(7-3-14)20-10-1-11-21-17-8-4-15(13-19)5-9-17/h2-9H,1,10-11H2

HIDE SMILES / InChI

Molecular Formula	C17H14N2O2
Molecular Weight	278.3053
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 17:44:54 GMT 2025` Edited by `admin` on `Tue Apr 01 17:44:54 GMT 2025`
Record UNII	88TX8ZNM3P
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-400550

Preferred Name

English

4,4'-TRIMETHYLENEDIOXYDIBENZONITRILE

Systematic Name

English

1,3-BIS(4-CYANOPHENOXY)PROPANE

Common Name

English

4,4'-(1,3-PROPANEDIYLBIS(OXY))BIS(BENZONITRILE)

Systematic Name

English

BENZONITRILE, 4,4'-(1,3-PROPANEDIYLBIS(OXY))BIS-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

231-278-3

Created by admin on Tue Apr 01 17:44:54 GMT 2025 , Edited by admin on Tue Apr 01 17:44:54 GMT 2025

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FDA UNII

88TX8ZNM3P

Created by admin on Tue Apr 01 17:44:54 GMT 2025 , Edited by admin on Tue Apr 01 17:44:54 GMT 2025

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PUBCHEM

81991

Created by admin on Tue Apr 01 17:44:54 GMT 2025 , Edited by admin on Tue Apr 01 17:44:54 GMT 2025

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NSC

400550

Created by admin on Tue Apr 01 17:44:54 GMT 2025 , Edited by admin on Tue Apr 01 17:44:54 GMT 2025

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EPA CompTox

DTXSID90225740

Created by admin on Tue Apr 01 17:44:54 GMT 2025 , Edited by admin on Tue Apr 01 17:44:54 GMT 2025

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CAS

7476-06-4

Created by admin on Tue Apr 01 17:44:54 GMT 2025 , Edited by admin on Tue Apr 01 17:44:54 GMT 2025

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