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Home> Hot Product Listed F   > F5140-0147
80584-91-4 structure

F5140-0147

CAS No.:80584-91-4
Molecular Weight:468.54714
Molecular Formula:C13H9CLN2 (isomer)
Names and Identifiers
Synonyms

6-acetyl-2-(1-(methylsulfonyl)piperidine-3-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide AKOS024499976 MCULE-3199779711 MOLPORT-009-726-623 VU0637026-1

Inchi
InChI=1/C21H36N6O6/c28-16(29)10-4-1-7-13-22-19-25-20(23-14-8-2-5-11-17(30)31)27-21(26-19)24-15-9-3-6-12-18(32)33/h1-15H2,(H,28,29)(H,30,31)(H,32,33)(H3,22,23,24,25,26,27)
Canonical Smiles
C(CCC(=O)O)CCNC1=NC(=NC(=N1)NCCCCCC(=O)O)NCCCCCC(=O)O
Properties
Refractive Index
1.604
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 1000_10000 view >
FULL JOINT 100_1000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Lubrizol Deutschland GmbH 2013
Metall-Chemie GmbH & Co. KG 2015
BASF SE 2013
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:468.54714g/mol
  • Molecular Formula:C13H9CLN2
  • Exact Mass:468.269633
  • Monoisotopic Mass:468.269633
  • Complexity:479
  • Rotatable Bond Count:21
  • Hydrogen Bond Donor Count:6
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:187
  • Heavy Atom Count:33
  • 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:1
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Recommended Suppliers
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