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Details

Stereochemistry ACHIRAL
Molecular Formula C12H15NO3
Molecular Weight 221.2524
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Safrole I

SMILES

CN(C)CCC(=O)C1=CC2=C(OCO2)C=C1

InChI

InChIKey=PWBLOELLKGNDKI-UHFFFAOYSA-N
InChI=1S/C12H15NO3/c1-13(2)6-5-10(14)9-3-4-11-12(7-9)16-8-15-11/h3-4,7H,5-6,8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H15NO3
Molecular Weight 221.2524
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 Mon Mar 31 21:43:57 GMT 2025
Edited
by admin
on Mon Mar 31 21:43:57 GMT 2025
Record UNII
F5FE8NZH9X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Safrole I
Common Name English
1-(1,3-Benzodioxol-5-yl)-3-(dimethylamino)-1-propanone
Preferred Name English
1-Propanone, 1-(1,3-benzodioxol-5-yl)-3-(dimethylamino)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90184505
Created by admin on Mon Mar 31 21:43:57 GMT 2025 , Edited by admin on Mon Mar 31 21:43:57 GMT 2025
PRIMARY
PUBCHEM
121703
Created by admin on Mon Mar 31 21:43:57 GMT 2025 , Edited by admin on Mon Mar 31 21:43:57 GMT 2025
PRIMARY
CAS
30418-50-9
Created by admin on Mon Mar 31 21:43:57 GMT 2025 , Edited by admin on Mon Mar 31 21:43:57 GMT 2025
PRIMARY
FDA UNII
F5FE8NZH9X
Created by admin on Mon Mar 31 21:43:57 GMT 2025 , Edited by admin on Mon Mar 31 21:43:57 GMT 2025
PRIMARY