1-(6-AMINO-1,3-BENZODIOXOL-5-YL)ETHAN-1-ONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H9NO3
Molecular Weight	179.1727
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(6-AMINO-1,3-BENZODIOXOL-5-YL)ETHAN-1-ONE

Structure Search

SMILES

CC(=O)C1=CC2=C(OCO2)C=C1N

InChI

InChIKey=DWTHYSZSRJOMSC-UHFFFAOYSA-N

InChI=1S/C9H9NO3/c1-5(11)6-2-8-9(3-7(6)10)13-4-12-8/h2-3H,4,10H2,1H3

HIDE SMILES / InChI

Approval Year

Name

Type

Language

1-(6-AMINO-1,3-BENZODIOXOL-5-YL)ETHAN-1-ONE

Systematic Name

English

2-AMINO-4,5-(METHYLENEDIOXY)ACETOPHENONE

Preferred Name

English

5-ACETYL-6-AMINO-1,3-BENZODIOXOLANE

Systematic Name

English

6-AMINO-3,4-METHYLENEDIOXYACETOPHENONE

Systematic Name

English

4,5-(METHYLENEDIOXY)-2-AMINOACETOPHENONE

Systematic Name

English

ETHANONE, 1-(6-AMINO-1,3-BENZODIOXOL-5-YL)-

Systematic Name

English

Code System Code Type Description

CAS

28657-75-2

Created by admin on Tue Apr 01 19:04:01 GMT 2025 , Edited by admin on Tue Apr 01 19:04:01 GMT 2025

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EPA CompTox

DTXSID00182815

Created by admin on Tue Apr 01 19:04:01 GMT 2025 , Edited by admin on Tue Apr 01 19:04:01 GMT 2025

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ECHA (EC/EINECS)

249-131-7

Created by admin on Tue Apr 01 19:04:01 GMT 2025 , Edited by admin on Tue Apr 01 19:04:01 GMT 2025

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PUBCHEM

120000

Created by admin on Tue Apr 01 19:04:01 GMT 2025 , Edited by admin on Tue Apr 01 19:04:01 GMT 2025

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FDA UNII

I5IA5A30LI

Created by admin on Tue Apr 01 19:04:01 GMT 2025 , Edited by admin on Tue Apr 01 19:04:01 GMT 2025

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SUBSTANCE RECORD


					I5IA5A30LI

1-(6-AMINO-1,3-BENZODIOXOL-5-YL)ETHAN-1-ONE