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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

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

Molecular Formula C9H9NO3
Molecular Weight 179.1727
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 Sat Dec 16 12:20:44 GMT 2023
Edited
by admin
on Sat Dec 16 12:20:44 GMT 2023
Record UNII
I5IA5A30LI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(6-AMINO-1,3-BENZODIOXOL-5-YL)ETHAN-1-ONE
Systematic Name English
5-ACETYL-6-AMINO-1,3-BENZODIOXOLANE
Systematic Name English
6-AMINO-3,4-METHYLENEDIOXYACETOPHENONE
Systematic Name English
2-AMINO-4,5-(METHYLENEDIOXY)ACETOPHENONE
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 Sat Dec 16 12:20:44 GMT 2023 , Edited by admin on Sat Dec 16 12:20:44 GMT 2023
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EPA CompTox
DTXSID00182815
Created by admin on Sat Dec 16 12:20:44 GMT 2023 , Edited by admin on Sat Dec 16 12:20:44 GMT 2023
PRIMARY
ECHA (EC/EINECS)
249-131-7
Created by admin on Sat Dec 16 12:20:44 GMT 2023 , Edited by admin on Sat Dec 16 12:20:44 GMT 2023
PRIMARY
PUBCHEM
120000
Created by admin on Sat Dec 16 12:20:44 GMT 2023 , Edited by admin on Sat Dec 16 12:20:44 GMT 2023
PRIMARY
FDA UNII
I5IA5A30LI
Created by admin on Sat Dec 16 12:20:44 GMT 2023 , Edited by admin on Sat Dec 16 12:20:44 GMT 2023
PRIMARY