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Details

Stereochemistry ACHIRAL
Molecular Formula C7H7NO2
Molecular Weight 137.136
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-BENZODIOXOL-5-AMINE

SMILES

NC1=CC=C2OCOC2=C1

InChI

InChIKey=XGNXYCFREOZBOL-UHFFFAOYSA-N
InChI=1S/C7H7NO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4,8H2

HIDE SMILES / InChI

Molecular Formula C7H7NO2
Molecular Weight 137.136
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
A comparison of the supramolecular structures of 1-(6-amino-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one and 1-(6-amino-1,3-benzodioxol-5-yl)-3-[4-(N,N-dimethylamino)phenyl]prop-2-en-1-one.
2002 Jan
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:45:04 GMT 2023
Edited
by admin
on Fri Dec 15 17:45:04 GMT 2023
Record UNII
2Q750587K8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-BENZODIOXOL-5-AMINE
Systematic Name English
BENZO(D)(1,3)DIOXOL-5-AMINE
Systematic Name English
1,3-BENZODIOXOLAN-6-AMINE
Systematic Name English
1,2-(METHYLENEDIOXY)-4-AMINOBENZENE
Systematic Name English
3,4-(METHYLENEDIOXY)-1-AMINOBENZENE
Systematic Name English
(BENZO(1,3)DIOXOL-5-YL)AMINE
Systematic Name English
5-AMINO-1,3-BENZODIOXOLE
Systematic Name English
NSC-155176
Code English
3,4-METHYLENEDIOXYANILINE
INCI  
INCI  
Official Name English
1-AMINO-3,4-(METHYLENEDIOXY)BENZENE
Systematic Name English
3,4-METHYLENEDIOXYANILINE [INCI]
Common Name English
ANILINE, 3,4-(METHYLENEDIOXY)-
Systematic Name English
Code System Code Type Description
NSC
155176
Created by admin on Fri Dec 15 17:45:04 GMT 2023 , Edited by admin on Fri Dec 15 17:45:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID8065743
Created by admin on Fri Dec 15 17:45:04 GMT 2023 , Edited by admin on Fri Dec 15 17:45:04 GMT 2023
PRIMARY
FDA UNII
2Q750587K8
Created by admin on Fri Dec 15 17:45:04 GMT 2023 , Edited by admin on Fri Dec 15 17:45:04 GMT 2023
PRIMARY
ECHA (EC/EINECS)
238-161-6
Created by admin on Fri Dec 15 17:45:04 GMT 2023 , Edited by admin on Fri Dec 15 17:45:04 GMT 2023
PRIMARY
PUBCHEM
84310
Created by admin on Fri Dec 15 17:45:04 GMT 2023 , Edited by admin on Fri Dec 15 17:45:04 GMT 2023
PRIMARY
CAS
14268-66-7
Created by admin on Fri Dec 15 17:45:04 GMT 2023 , Edited by admin on Fri Dec 15 17:45:04 GMT 2023
PRIMARY