p-Tolylacetonitrile

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H9N
Molecular Weight	131.1745
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of p-Tolylacetonitrile

Structure Search

SMILES

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

InChI

InChIKey=RNHKXHKUKJXLAU-UHFFFAOYSA-N

InChI=1S/C9H9N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6H2,1H3

HIDE SMILES / InChI

Molecular Formula	C9H9N
Molecular Weight	131.1745
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 16:56:53 GMT 2025` Edited by `admin` on `Tue Apr 01 16:56:53 GMT 2025`
Record UNII	5LWN3C33SM
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

4-METHYLBENZYL CYANIDE

Preferred Name

English

p-Tolylacetonitrile

Common Name

English

4-METHYLBENZENEACETONITRILE

Systematic Name

English

ACETONITRILE, P-TOLYL-

Systematic Name

English

BENZENEACETONITRILE, 4-METHYL-

Systematic Name

English

P-METHYLBENZYL CYANIDE

Common Name

English

Code System Code Type Description

CAS

2947-61-7

Created by admin on Tue Apr 01 16:56:53 GMT 2025 , Edited by admin on Tue Apr 01 16:56:53 GMT 2025

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PUBCHEM

76280

Created by admin on Tue Apr 01 16:56:53 GMT 2025 , Edited by admin on Tue Apr 01 16:56:53 GMT 2025

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FDA UNII

5LWN3C33SM

Created by admin on Tue Apr 01 16:56:53 GMT 2025 , Edited by admin on Tue Apr 01 16:56:53 GMT 2025

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EPA CompTox

DTXSID90183674

Created by admin on Tue Apr 01 16:56:53 GMT 2025 , Edited by admin on Tue Apr 01 16:56:53 GMT 2025

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ECHA (EC/EINECS)

220-963-2

Created by admin on Tue Apr 01 16:56:53 GMT 2025 , Edited by admin on Tue Apr 01 16:56:53 GMT 2025

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