2,6-DIMETHYLBENZONITRILE

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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 2,6-DIMETHYLBENZONITRILE

Structure Search

SMILES

CC1=CC=CC(C)=C1C#N

InChI

InChIKey=QSACPWSIIRFHHR-UHFFFAOYSA-N

InChI=1S/C9H9N/c1-7-4-3-5-8(2)9(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

PubMed

PubMed

Title	Date	PubMed
Photochemical expulsion of the neutral monodentate ligand L in Ru(terpy*)(diimine)(L)2+: a dramatic effect of the steric properties of the spectator diimine ligand.	2004 Dec 27	15606181

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:03:11 GMT 2023` Edited by `admin` on `Fri Dec 15 18:03:11 GMT 2023`
Record UNII	1ZH37S5B0Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,6-DIMETHYLBENZONITRILE

Systematic Name

English

NSC-98304

Code

English

Code System Code Type Description

ECHA (EC/EINECS)

229-503-5

Created by admin on Fri Dec 15 18:03:11 GMT 2023 , Edited by admin on Fri Dec 15 18:03:11 GMT 2023

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PUBCHEM

81057

Created by admin on Fri Dec 15 18:03:11 GMT 2023 , Edited by admin on Fri Dec 15 18:03:11 GMT 2023

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EPA CompTox

DTXSID20215957

Created by admin on Fri Dec 15 18:03:11 GMT 2023 , Edited by admin on Fri Dec 15 18:03:11 GMT 2023

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FDA UNII

1ZH37S5B0Z

Created by admin on Fri Dec 15 18:03:11 GMT 2023 , Edited by admin on Fri Dec 15 18:03:11 GMT 2023

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NSC

98304

Created by admin on Fri Dec 15 18:03:11 GMT 2023 , Edited by admin on Fri Dec 15 18:03:11 GMT 2023

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CAS

6575-13-9

Created by admin on Fri Dec 15 18:03:11 GMT 2023 , Edited by admin on Fri Dec 15 18:03:11 GMT 2023

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