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Home> Hot Product Listed F   > F5016-0976
7778-80-5 structure

F5016-0976

CAS No.:7778-80-5
Molecular Weight:174.2592
Molecular Formula:C21H21FN4O2S (isomer)
Names and Identifiers
Synonyms

AKOS024489666 MCULE-9427047787 MOLPORT-009-721-569 n1-(4-fluorobenzyl)-n2-((1-(thiophen-3-ylmethyl)piperidin-4-yl)methyl)oxalamide VU0629323-1 ZINC43940956

Inchi
InChI=1/2K.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2
InChkey
OTYBMLCTZGSZBG-UHFFFAOYSA-L
Canonical Smiles
[O-]S(=O)(=O)[O-].[K+].[K+]
Properties
Melting Point
1067℃
HS Code
31043000
Safety and Handling
Safety Statements
S22;S24/25
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 1000000_10000000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
"Alwernia" Spółka Akcyjna 2013
Anorel NV 2017
Argent Energy (UK) Ltd 2014
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:174.2592g/mol
  • Molecular Formula:C21H21FN4O2S
  • Exact Mass:173.879143
  • Monoisotopic Mass:173.879143
  • Complexity:62.2
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:88.6
  • Heavy Atom Count:7
  • 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:3
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