4-TERT-BUTYLBENZONITRILE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H13N
Molecular Weight	159.2276
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-TERT-BUTYLBENZONITRILE

Structure Search

SMILES

CC(C)(C)C1=CC=C(C=C1)C#N

InChI

InChIKey=IIZURLNRIMKEDL-UHFFFAOYSA-N

InChI=1S/C11H13N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,1-3H3

HIDE SMILES / InChI

Molecular Formula	C11H13N
Molecular Weight	159.2276
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 `Mon Mar 31 23:23:18 GMT 2025` Edited by `admin` on `Mon Mar 31 23:23:18 GMT 2025`
Record UNII	Y968PR6AS9
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

4-(1,1-DIMETHYLETHYL)BENZONITRILE

Preferred Name

English

4-TERT-BUTYLBENZONITRILE

Systematic Name

English

BENZONITRILE, 4-(1,1-DIMETHYLETHYL)-

Systematic Name

English

P-TERT-BUTYLBENZONITRILE

Systematic Name

English

BENZONITRILE, P-TERT-BUTYL-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

224-137-2

Created by admin on Mon Mar 31 23:23:18 GMT 2025 , Edited by admin on Mon Mar 31 23:23:18 GMT 2025

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PUBCHEM

77883

Created by admin on Mon Mar 31 23:23:18 GMT 2025 , Edited by admin on Mon Mar 31 23:23:18 GMT 2025

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CAS

4210-32-6

Created by admin on Mon Mar 31 23:23:18 GMT 2025 , Edited by admin on Mon Mar 31 23:23:18 GMT 2025

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EPA CompTox

DTXSID70194945

Created by admin on Mon Mar 31 23:23:18 GMT 2025 , Edited by admin on Mon Mar 31 23:23:18 GMT 2025

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FDA UNII

Y968PR6AS9

Created by admin on Mon Mar 31 23:23:18 GMT 2025 , Edited by admin on Mon Mar 31 23:23:18 GMT 2025

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