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Home> Hot Product Listed T   > T6648095
63637-89-8 structure

T6648095

Iupac Name:N-(3,5-dichlorophenyl)-2,4-dioxo-3-propan-2-ylimidazolidine-1-carboxamide
CAS No.:63637-89-8
Molecular Weight:330.165
Molecular Formula:C17H25F2N3O2 (isomer)
Names and Identifiers
Synonyms

MCULE-6485479501 MOLPORT-009-134-781 n-({imidazo[1,2-a]pyridin-2-yl}methyl)-1,1-dioxo-1lambda6-thiolane-3-carboxamide n-{imidazo[1,2-a]pyridin-2-ylmethyl}-1,1-dioxo-1??-thiolane-3-carboxamide Z109409108

Inchi
InChI=1S/C13H13Cl2N3O3/c1-7(2)18-11(19)6-17(13(18)21)12(20)16-10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)
InChkey
GKJUMTZXIUCPAG-UHFFFAOYSA-N
Canonical Smiles
CC(C)N1C(=O)CN(C1=O)C(=O)NC2=CC(=CC(=C2)Cl)Cl
Properties
Melting Point
130-134 °C(lit.)
Refractive Index
1.639
Safety and Handling
Risk Statements
40-50/53
Safety Statements
36/37-60-61
Transport
UN 3077 9
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:330.165g/mol
  • Molecular Formula:C17H25F2N3O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.5
  • Exact Mass:329.033
  • Monoisotopic Mass:329.033
  • Complexity:448
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:69.7A^2
  • Heavy Atom Count:21
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBzMAAGAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgIQAAAACCrBkCQzwIPAAACI ACVSUACCAAAhBwAAiACIZoiIYCLBk7GUIAholyLIyCcQAAAAAAAAAAKAAAAAAAAABQAAAAAAAAAA AA==
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