2,5-DIMETHYL-1H-INDOLE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H11N
Molecular Weight	145.201
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,5-DIMETHYL-1H-INDOLE

Structure Search

SMILES

CC1=CC2=CC(C)=CC=C2N1

InChI

InChIKey=ZFLFWZRPMDXJCW-UHFFFAOYSA-N

InChI=1S/C10H11N/c1-7-3-4-10-9(5-7)6-8(2)11-10/h3-6,11H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C10H11N
Molecular Weight	145.201
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
Prediction of genotoxicity of chemical compounds by statistical learning methods.	2005 Jun	15962942
Indole ring oxidation by activated leukocytes prevents the production of hypochlorous acid.	2005 Nov	16258625

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:03:10 GMT 2023` Edited by `admin` on `Fri Dec 15 18:03:10 GMT 2023`
Record UNII	ETU94V283M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,5-DIMETHYL-1H-INDOLE

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

214-816-1

Created by admin on Fri Dec 15 18:03:10 GMT 2023 , Edited by admin on Fri Dec 15 18:03:10 GMT 2023

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CAS

1196-79-8

Created by admin on Fri Dec 15 18:03:10 GMT 2023 , Edited by admin on Fri Dec 15 18:03:10 GMT 2023

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PUBCHEM

70965

Created by admin on Fri Dec 15 18:03:10 GMT 2023 , Edited by admin on Fri Dec 15 18:03:10 GMT 2023

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EPA CompTox

DTXSID30152521

Created by admin on Fri Dec 15 18:03:10 GMT 2023 , Edited by admin on Fri Dec 15 18:03:10 GMT 2023

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FDA UNII

ETU94V283M

Created by admin on Fri Dec 15 18:03:10 GMT 2023 , Edited by admin on Fri Dec 15 18:03:10 GMT 2023

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