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Substance Name: Safrole I
RN: 30418-50-9
InChIKey: PWBLOELLKGNDKI-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C12-H15-N-O3

Molecular Weight

  • 221.255
 
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Names and Synonyms

Results Name

  • Safrole I

Synonyms

  • 3-N,N-Dimethylamino-1-(3,4-methylenedioxyphenyl)-1-propanone
  • 5-19-08-00644 (Beilstein Handbook Reference)
  • BRN 1316015
  • Safrole I

Systematic Names

  • 1-Propanone, 1-(1,3-benzodioxol-5-yl)-3-(dimethylamino)-
  • Propiophenone, 3-(dimethylamino)-3',4'-(methylenedioxy)- (8CI)

Registry Numbers

CAS Registry Number

  • 30418-50-9

System Generated Number

  • 0030418509

Structure Descriptors

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

InChIKey

PWBLOELLKGNDKI-UHFFFAOYSA-N

Smiles

O1COc2c1ccc(C(=O)CCN(C)C)c2