BENZONITRILE, 2,5-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, 2,5-DIMETHYL-

Structure Search

SMILES

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

InChI

InChIKey=OZOQTENKIVKILK-UHFFFAOYSA-N

InChI=1S/C9H9N/c1-7-3-4-8(2)9(5-7)6-10/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 19:12:41 GMT 2025` Edited by `admin` on `Mon Mar 31 19:12:41 GMT 2025`
Record UNII	7TH0CCO586
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZONITRILE, 2,5-DIMETHYL-

Preferred Name

English

Code System Code Type Description

FDA UNII

7TH0CCO586

Created by admin on Mon Mar 31 19:12:41 GMT 2025 , Edited by admin on Mon Mar 31 19:12:41 GMT 2025

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EPA CompTox

DTXSID80160131

Created by admin on Mon Mar 31 19:12:41 GMT 2025 , Edited by admin on Mon Mar 31 19:12:41 GMT 2025

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CAS

13730-09-1

Created by admin on Mon Mar 31 19:12:41 GMT 2025 , Edited by admin on Mon Mar 31 19:12:41 GMT 2025

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ECHA (EC/EINECS)

237-297-3

Created by admin on Mon Mar 31 19:12:41 GMT 2025 , Edited by admin on Mon Mar 31 19:12:41 GMT 2025

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PUBCHEM

83688

Created by admin on Mon Mar 31 19:12:41 GMT 2025 , Edited by admin on Mon Mar 31 19:12:41 GMT 2025

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