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Home> Encyclopedia > Hot Product Listed 3   > 3-CHLOROMETHYL-PYRROLIDINE HYDROCHLORIDE
1187927-23-6 structure

3-CHLOROMETHYL-PYRROLIDINE HYDROCHLORIDE

Iupac Name:3-(chloromethyl)pyrrolidine;hydrochloride
CAS No.:1187927-23-6
Molecular Weight:156.05
Molecular Formula:C5H11Cl2N (isomer)
Names and Identifiers
Synonyms

3-(chloromethyl)pyrrolidine hydrochloride 3-chloromethylpyrrolidine hydrochloride 5321AH AK192319 AKOS026671199 AM91070 KB-31288 Z-6826

Inchi
InChI=1S/C5H10ClN.ClH/c6-3-5-1-2-7-4-5;/h5,7H,1-4H2;1H
InChkey
OIBNJKSCDLVUQL-UHFFFAOYSA-N
Canonical Smiles
C1CNCC1CCl.Cl
Computational chemical data
  • Molecular Weight:156.05g/mol
  • Molecular Formula:C5H11Cl2N
  • Compound Is Canonicalized:True
  • Exact Mass:155.027
  • Monoisotopic Mass:155.027
  • Complexity:56
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:12A^2
  • Heavy Atom Count:8
  • 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: AAADccBiAAAGAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHAIQAAAADQPBAEQAAALAAAAA AAAAAAAAAAAAAAAAAIAIAgAAAAABgAAEAAAAEACAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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