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Details

Stereochemistry RACEMIC
Molecular Formula C12H17NO3
Molecular Weight 223.2683
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-METHYLENEDIOXY-.BETA.-METHOXY-N,.ALPHA.-DIMETHYLPHENETHYLAMINE

SMILES

CNC(C)C(OC)C1=CC2=C(OCO2)C=C1

InChI

InChIKey=UZEKPFSPJVXXFV-UHFFFAOYSA-N
InChI=1S/C12H17NO3/c1-8(13-2)12(14-3)9-4-5-10-11(6-9)16-7-15-10/h4-6,8,12-13H,7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C12H17NO3
Molecular Weight 223.2683
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 11:40:17 GMT 2025
Edited
by admin
on Wed Apr 02 11:40:17 GMT 2025
Record UNII
CK76UR4659
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(1,3-BENZODIOXOL-5-YL)-1-METHOXY-N-METHYLPROPAN-2-AMINE
Preferred Name English
3,4-METHYLENEDIOXY-.BETA.-METHOXY-N,.ALPHA.-DIMETHYLPHENETHYLAMINE
Systematic Name English
.BETA.-METHOXY-N,.ALPHA.-DIMETHYL-1,3-BENZODIOXOLE-5-ETHANAMINE
Systematic Name English
N-METHYL-2-METHOXY-1-METHYL-2-(3,4-METHYLENEDIOXYPHENYL)ETHANAMINE
Systematic Name English
1,3-BENZODIOXOLE-5-ETHANAMINE, .BETA.-METHOXY-N,.ALPHA.-DIMETHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
CK76UR4659
Created by admin on Wed Apr 02 11:40:17 GMT 2025 , Edited by admin on Wed Apr 02 11:40:17 GMT 2025
PRIMARY
CAS
863891-03-6
Created by admin on Wed Apr 02 11:40:17 GMT 2025 , Edited by admin on Wed Apr 02 11:40:17 GMT 2025
PRIMARY
PUBCHEM
90785358
Created by admin on Wed Apr 02 11:40:17 GMT 2025 , Edited by admin on Wed Apr 02 11:40:17 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY