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Home> Encyclopedia >   /  Laboratory Chemicals  /  Laboratory Chemicals  /  Other Chemicals  /  Other Inorganic Chemicals  /  Pharmaceutical Intermediates
802855-66-9 structure

Eutylone

Iupac Name:1-(1,3-benzodioxol-5-yl)-2-(ethylamino)butan-1-one
CAS No.:802855-66-9
Molecular Weight:235.283
Molecular Formula:C13H17NO3 (isomer)
1. Names and Identifiers
1.1 Synonyms

1-(1,3-Benzodioxol-5-yl)-2-(ethylamino)-1-butanon 1-(2h-1,3-benzodioxol-5-yl)-2-(ethylamino)butan-1-one 1-butanone, 1-(1,3-benzodioxol-5-yl)-2-(ethylamino)- 2-(ethylamino)-1-[3,4-(methylenedioxy)phenyl]butane-1-one bk-ebdb BK-EBDB CAS 802855-66-9 bk-ebdb china vendor butyrophenone, 2-(ethylamino)-3',4'-(methylenedioxy) China manufacturer low price EBK kf-wang(at)kf-chem.com DTXSID90724364 EMAIL:AVA@HKCHEMLAB.COM eutylone eutylone , eu , eu crystal , eutylone crystal rock brown crystal Eutylone crystal eutylone eu bk-ebdp kf-wang(at)kf-chem.com EUTYLONE/BK-EBDB/BK-EBDB/2019 HOT SALE (WHATSAPP:+17129229339) N-ETHYLBUTYLONE YERSNXHEOIYEGX-UHFFFAOYSA-N

1.2 Inchi
InChI=1S/C13H17NO3/c1-3-10(14-4-2)13(15)9-5-6-11-12(7-9)17-8-16-11/h5-7,10,14H,3-4,8H2,1-2H3
1.3 InChkey
YERSNXHEOIYEGX-UHFFFAOYSA-N
1.4 Canonical Smiles
CCC(C(=O)C1=CC2=C(C=C1)OCO2)NCC
2. 3D Conformer
3. Computational chemical data
  • Molecular Weight:235.283g/mol
  • Molecular Formula:C13H17NO3
  • Compound Is Canonicalized:True
  • Exact Mass:235.121
  • Monoisotopic Mass:235.121
  • Complexity:269
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:47.6A^2
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceByMAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAEgBAAAAHgAQAAAADCzBmAcyDoLABACI AqBSAAACCAAkIAAIiIGOiMgdJjKEtTukMSIk0BGOqYea3LPOIAABAAAAQABAAAIAAACAAAAAAAAA AA==
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