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Home> Encyclopedia > Hot Product Listed 6   > 6H-Pyrrolo[3,2-e]benzothiazol-2-amine,N,N-dimethyl-
164650-44-6 structure

6H-Pyrrolo[3,2-e]benzothiazol-2-amine,N,N-dimethyl-

Iupac Name:(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylidenepiperidin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CAS No.:164650-44-6
Molecular Weight:348.3902864
Molecular Formula:C9H12O5 (isomer)
Names and Identifiers
Synonyms

6h-pyrrolo[3,2-e]benzothiazole, 2-(dimethylamino)- (8ci) 6H-Pyrrolo[3,2-e]benzothiazole,2-(dimethylamino)- (8CI) dimethyl-(6h-thiazolo[4,5-e]indol-2-yl)-amine KB-300205 n,n-dimethyl-6h-[1,3]thiazolo[4,5-e]indol-2-amine PL052890 ZINC45237878

Inchi
InChI=1S/C18H22F2N4O/c1-13-5-7-23(8-6-13)14(2)18(25,10-24-12-21-11-22-24)16-4-3-15(19)9-17(16)20/h3-4,9,11-12,14,25H,1,5-8,10H2,2H3/t14-,18-/m1/s1
InChkey
NFEZZTICAUWDHU-RDTXWAMCSA-N
Canonical Smiles
CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCC(=C)CC3
Properties
Flash Point
78.206°C
Safety and Handling
Hazard Note
H361
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:348.3902864g/mol
  • Molecular Formula:C9H12O5
  • Compound Is Canonicalized:True
  • Exact Mass:348.176
  • Monoisotopic Mass:348.176
  • Complexity:470
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:54.2A^2
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:2
  • 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: AAADceB7oYAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAAABwAAAHwAICAAADGzBmAw3EIcIEgCi AiBDJAASAAswgIAdyAAICIiKLiKA2RGEcAAswAOYmAeQwOAOgAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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