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Home> Hot Product Listed F   > F5833-6636
5896-54-8 structure

F5833-6636

Iupac Name:sodium;pentadecane-1-sulfonate
CAS No.:5896-54-8
Molecular Weight:314.46000
Molecular Formula:C16H19N5O2 (isomer)
Names and Identifiers
Synonyms

AKOS024765371 MCULE-6970157274 MOLPORT-009-038-788 n-(3-(2-oxopiperidin-1-yl)phenyl)isonicotinamide n-[3-(2-oxopiperidin-1-yl)phenyl]pyridine-4-carboxamide Z368080112 ZINC38698538

Inchi
InChI=1S/C15H32O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(16,17)18;/h2-15H2,1H3,(H,16,17,18);/q;+1/p-1
InChkey
PLQISZLZPSPBDP-UHFFFAOYSA-M
Canonical Smiles
CCCCCCCCCCCCCCCS(=O)(=O)[O-].[Na+]
Properties
Flash Point
96℃
HS Code
2904100000
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:314.46000g/mol
  • Molecular Formula:C16H19N5O2
  • Compound Is Canonicalized:True
  • Exact Mass:314.189
  • Monoisotopic Mass:314.189
  • Complexity:273
  • Rotatable Bond Count:14
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:65.6A^2
  • Heavy Atom Count:20
  • 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: AAADceBwMCBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAQAAAAACACEQACCAAAAAAIA AAAAAHBAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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