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5FMDMB-2201 structure
5FMDMB-2201 structure

5FMDMB-2201

CAS No.:1971007-88-1
Molecular Weight:376.46
1. Names and Identifiers
1.1 Name
5FMDMB-2201
1.2 Synonyms

5F-MDMB-2201 Research Chemical Powders 5fmdmb2201,4fADB,bmdp,Ebk,Eu,BU,CDC,NDH,Hep,mmb2201 mmbfub, fub2201, 4BB22, MMB022 5FMDMB2201/5fmdmb2201/4fadb/4f-adb/cannabinoids/mdmb2201 ava(at)hkchemlab.com Best 5F-mdmb-2201 powder 5fmdmb2201 High pure 5fmdmb2201 5f-mdmb-2201 replace 5fadb 5f-adb yellow powder research chemical ight yello powder MDDPV

1.3 CAS No.
1971007-88-1
1.4 CID
129597835
1.5 Molecular Formula
C21H29FN2O3 (isomer)
1.6 Inchi
InChI=1S/C21H29FN2O3/c1-21(2,3)18(20(26)27-4)23-19(25)16-14-24(13-9-5-8-12-22)17-11-7-6-10-15(16)17/h6-7,10-11,14,18H,5,8-9,12-13H2,1-4H3,(H,23,25)/t18-/m1/s1
1.7 InChkey
CHSUEEBESACQDV-GOSISDBHSA-N
1.8 Canonical Smiles
CC(C)(C)C(C(=O)OC)NC(=O)C1=CN(C2=CC=CC=C21)CCCCCF
1.9 Isomers Smiles
CC(C)(C)[C@@H](C(=O)OC)NC(=O)C1=CN(C2=CC=CC=C21)CCCCCF
2. Properties
3.1 Density
1.12±0.1 g/cm3(Predicted)
3.2 Boiling Point
556.8±40.0 °C(Predicted)
3.3 pKa
13.25±0.46(Predicted)
3. Computational chemical data
  • Molecular Weight:376.46g/mol
  • Molecular Formula:C21H29FN2O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:4.3
  • Exact Mass:376.21622095
  • Monoisotopic Mass:376.21622095
  • Complexity:506
  • Rotatable Bond Count:10
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:60.3
  • Heavy Atom Count:27
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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