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Home> Hot Product Listed B   > BAS 06900645
560073-35-0 structure

BAS 06900645

Iupac Name:N-[(1-ethylpiperidin-4-ylidene)amino]-2-methylfuran-3-carboxamide
CAS No.:560073-35-0
Molecular Weight:249.314
Molecular Formula:C14H11F2N3O2 (isomer)
Names and Identifiers
Synonyms

2-amino-4-(2-chloro-6-fluorophenyl)-7,9-dimethyl-4h-pyrano[2',3':4,5]thieno[2,3-b]pyridine-3-carbonitrile 2-amino-4-(2-chloro-6-fluorophenyl)-7,9-dimethyl-4h-pyridino[3',2'-4,5]thiophe no[3,2-b]pyran-3-carbonitrile 4-amino-6-(2-chloro-6-fluorophenyl)-11,13-dimethyl-3-oxa-8-thia-10-azatricyclo[7.4.0.0(2),?]trideca-1(13),2(7),4,9,11-pentaene-5-carbonitrile AC1MKC1F AKOS000666158 AKOS016349619 AM-807/14957460 BG01369363 ggvkcjnjzydreq-uhfffaoysa-n MCULE-4981423770 MOLPORT-000-731-386 RSC002425 ST50025034 STL335610 STOCK3S-23854

Inchi
InChI=1S/C13H19N3O2/c1-3-16-7-4-11(5-8-16)14-15-13(17)12-6-9-18-10(12)2/h6,9H,3-5,7-8H2,1-2H3,(H,15,17)
InChkey
LHGQYPSTUMZUMY-UHFFFAOYSA-N
Canonical Smiles
CCN1CCC(=NNC(=O)C2=C(OC=C2)C)CC1
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:249.314g/mol
  • Molecular Formula:C14H11F2N3O2
  • Compound Is Canonicalized:True
  • Exact Mass:249.148
  • Monoisotopic Mass:249.148
  • Complexity:320
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:18
  • 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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