(4-TERT-BUTYLPHENYL)ACETONITRILE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H15N
Molecular Weight	173.2542
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (4-TERT-BUTYLPHENYL)ACETONITRILE

Structure Search

SMILES

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

InChI

InChIKey=QKJPXROEIJPNHG-UHFFFAOYSA-N

InChI=1S/C12H15N/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7H,8H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C12H15N
Molecular Weight	173.2542
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 23:03:44 GMT 2025` Edited by `admin` on `Mon Mar 31 23:03:44 GMT 2025`
Record UNII	JJV56A2CNJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-85354

Preferred Name

English

(4-TERT-BUTYLPHENYL)ACETONITRILE

Systematic Name

English

ACETONITRILE, (P-TERT-BUTYLPHENYL)-

Common Name

English

4-(1,1-DIMETHYLETHYL)BENZENEACETONITRILE

Systematic Name

English

P-TERT-BUTYLBENZYL CYANIDE

Common Name

English

(P-TERT-BUTYLPHENYL)ACETONITRILE

Systematic Name

English

4-TERT-BUTYLBENZYL CYANIDE

Systematic Name

English

BENZENEACETONITRILE, 4-(1,1-DIMETHYLETHYL)-

Systematic Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

690112

Created by admin on Mon Mar 31 23:03:44 GMT 2025 , Edited by admin on Mon Mar 31 23:03:44 GMT 2025

Code System Code Type Description

ECHA (EC/EINECS)

221-944-1

Created by admin on Mon Mar 31 23:03:44 GMT 2025 , Edited by admin on Mon Mar 31 23:03:44 GMT 2025

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FDA UNII

JJV56A2CNJ

Created by admin on Mon Mar 31 23:03:44 GMT 2025 , Edited by admin on Mon Mar 31 23:03:44 GMT 2025

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CAS

3288-99-1

Created by admin on Mon Mar 31 23:03:44 GMT 2025 , Edited by admin on Mon Mar 31 23:03:44 GMT 2025

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PUBCHEM

76784

Created by admin on Mon Mar 31 23:03:44 GMT 2025 , Edited by admin on Mon Mar 31 23:03:44 GMT 2025

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NSC

85354

Created by admin on Mon Mar 31 23:03:44 GMT 2025 , Edited by admin on Mon Mar 31 23:03:44 GMT 2025

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EPA CompTox

DTXSID8052011

Created by admin on Mon Mar 31 23:03:44 GMT 2025 , Edited by admin on Mon Mar 31 23:03:44 GMT 2025

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