2,6-DIMETHYLNAPHTHALENE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H12
Molecular Weight	156.2237
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,6-DIMETHYLNAPHTHALENE

Structure Search

SMILES

CC1=CC2=C(C=C1)C=C(C)C=C2

InChI

InChIKey=YGYNBBAUIYTWBF-UHFFFAOYSA-N

InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C12H12
Molecular Weight	156.2237
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
Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors.	2005 Jun 2	15916432
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006 Nov	16497524

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:24:11 GMT 2023` Edited by `admin` on `Sat Dec 16 08:24:11 GMT 2023`
Record UNII	76U29QW3FM
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2,6-DIMETHYLNAPHTHALENE

Systematic Name

English

2,6-DMN

Common Name

English

NAPHTHALENE, 2,6-DIMETHYL-

Systematic Name

English

DIMETHYLNAPHTHALENE

Systematic Name

English

C14330

Code

English

J45.113D

Code

English

NSC-36852

Code

English

Code System Code Type Description

WIKIPEDIA

2,6-Dimethylnaphthalene

Created by admin on Sat Dec 16 08:24:11 GMT 2023 , Edited by admin on Sat Dec 16 08:24:11 GMT 2023

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FDA UNII

76U29QW3FM

Created by admin on Sat Dec 16 08:24:11 GMT 2023 , Edited by admin on Sat Dec 16 08:24:11 GMT 2023

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PUBCHEM

11387

Created by admin on Sat Dec 16 08:24:11 GMT 2023 , Edited by admin on Sat Dec 16 08:24:11 GMT 2023

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EPA CompTox

DTXSID0029187

Created by admin on Sat Dec 16 08:24:11 GMT 2023 , Edited by admin on Sat Dec 16 08:24:11 GMT 2023

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NSC

36852

Created by admin on Sat Dec 16 08:24:11 GMT 2023 , Edited by admin on Sat Dec 16 08:24:11 GMT 2023

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ECHA (EC/EINECS)

209-464-0

Created by admin on Sat Dec 16 08:24:11 GMT 2023 , Edited by admin on Sat Dec 16 08:24:11 GMT 2023

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CHEBI

34251

Created by admin on Sat Dec 16 08:24:11 GMT 2023 , Edited by admin on Sat Dec 16 08:24:11 GMT 2023

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CAS

581-42-0

Created by admin on Sat Dec 16 08:24:11 GMT 2023 , Edited by admin on Sat Dec 16 08:24:11 GMT 2023

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