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Home> Hot Product Listed S   > STOCK7S-00606
1092108-79-6 structure

STOCK7S-00606

Iupac Name:3-(3,4-dichlorophenyl)pyrrolidine;hydrochloride
CAS No.:1092108-79-6
Molecular Weight:252.563g/mol
Molecular Formula:C22H23N3O3 (isomer)
Names and Identifiers
Synonyms

3-(benzylamino)-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclobut-3-ene-1,2-dione AKOS005664575 BG00672597 MCULE-9158904203 MOLPORT-008-337-754 STK935250 ZINC101666003

Inchi
InChI=1S/C10H11Cl2N.ClH/c11-9-2-1-7(5-10(9)12)8-3-4-13-6-8;/h1-2,5,8,13H,3-4,6H2;1H
InChkey
CLEBEYWTFWLKQX-UHFFFAOYSA-N
Canonical Smiles
C1CNCC1C2=CC(=C(C=C2)Cl)Cl.Cl
Computational chemical data
  • Molecular Weight:252.563g/molg/mol
  • Molecular Formula:C22H23N3O3
  • Compound Is Canonicalized:True
  • Exact Mass:251.004
  • Monoisotopic Mass:251.004
  • Complexity:174
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:12A^2
  • Heavy Atom Count:14
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADccByAAAGAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHAIQAAAADQLBGCQwAILAAACA AiBCAAACAAAgBQAIisAIAogIICKBkxGEIAAgkACIiAcQgMAOhAAAIAAAAAQIAABAAAAACAAAAAAA AA==
 
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