BENZONITRILE, 3,4-DIMETHYL-

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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 BENZONITRILE, 3,4-DIMETHYL-

Structure Search

SMILES

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

InChI

InChIKey=OWISXYQFTOYGRO-UHFFFAOYSA-N

InChI=1S/C9H9N/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,1-2H3

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 `Mon Mar 31 19:46:29 GMT 2025` Edited by `admin` on `Mon Mar 31 19:46:29 GMT 2025`
Record UNII	9478C1670I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZONITRILE, 3,4-DIMETHYL-

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID80177426

Created by admin on Mon Mar 31 19:46:29 GMT 2025 , Edited by admin on Mon Mar 31 19:46:29 GMT 2025

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FDA UNII

9478C1670I

Created by admin on Mon Mar 31 19:46:29 GMT 2025 , Edited by admin on Mon Mar 31 19:46:29 GMT 2025

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ECHA (EC/EINECS)

245-293-8

Created by admin on Mon Mar 31 19:46:29 GMT 2025 , Edited by admin on Mon Mar 31 19:46:29 GMT 2025

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PUBCHEM

89884

Created by admin on Mon Mar 31 19:46:29 GMT 2025 , Edited by admin on Mon Mar 31 19:46:29 GMT 2025

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CAS

22884-95-3

Created by admin on Mon Mar 31 19:46:29 GMT 2025 , Edited by admin on Mon Mar 31 19:46:29 GMT 2025

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