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Home> Hot Product Listed T   > T6591650
809273-65-2 structure

T6591650

Iupac Name:(4,4-difluorocyclohexyl)methanamine;hydrochloride
CAS No.:809273-65-2
Molecular Weight:185.643
Molecular Formula:C21H26F2N4O2 (isomer)
Names and Identifiers
Synonyms

1-[(5-chlorothiophen-2-yl)methyl]-4-(pyrrolidine-1-sulfonyl)piperazine MCULE-9376232471 MOLPORT-009-168-529 Z279725226 ZINC42674817

Inchi
InChI=1S/C7H13F2N.ClH/c8-7(9)3-1-6(5-10)2-4-7;/h6H,1-5,10H2;1H
InChkey
HNJQCPHETXMWSG-UHFFFAOYSA-N
Canonical Smiles
C1CC(CCC1CN)(F)F.Cl
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:185.643g/mol
  • Molecular Formula:C21H26F2N4O2
  • Compound Is Canonicalized:True
  • Exact Mass:185.078
  • Monoisotopic Mass:185.078
  • Complexity:104
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:26A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccBiAYAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAHQAQAAAADQDBABQAAABAAAAA AAAAAAAAAAAAAAAAAIAAAAAAAAIAgAAAAAAAEAAAAAEQgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
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  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-25-66112885
  • Fax:86-25-66112885
  • Tel:+86-519-86339586,13584329896
  • Fax:
  • Tel:86-571-89925085
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