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Home> Hot Product Listed F   > F5689-0075
83876-62-4 structure

F5689-0075

Iupac Name:(7-methylbenzo[c]acridin-4-yl) acetate
CAS No.:83876-62-4
Molecular Weight:301.3386
Molecular Formula:C13H20N2 (isomer)
Names and Identifiers
Synonyms

AKOS024517190 MCULE-6406948896 MOLPORT-009-741-040 n-(2-(4-methyl-5-oxo-3-phenyl-4,5-dihydro-1h-1,2,4-triazol-1-yl)ethyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide VU0519149-1

Inchi
InChI=1/C20H15NO2/c1-12-14-6-3-4-8-18(14)21-20-15(12)10-11-16-17(20)7-5-9-19(16)23-13(2)22/h3-11H,1-2H3
Canonical Smiles
CC1=C2C=CC3=C(C2=NC4=CC=CC=C14)C=CC=C3OC(=O)C
Properties
Refractive Index
1.716
Safety and Handling
Safety Statements
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.
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:301.3386g/mol
  • Molecular Formula:C13H20N2
  • Exact Mass:301.110279
  • Monoisotopic Mass:301.110279
  • Complexity:451
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:39.2
  • Heavy Atom Count:23
  • 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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