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Home> Hot Product Listed A   > AKOS004910707
34433-31-3 structure

AKOS004910707

CAS No.:34433-31-3
Molecular Weight:359.20784
Molecular Formula:C22H26N2O4 (isomer)
Names and Identifiers
Synonyms

2-((1-(2-chloroacetyl)piperidin-4-yl)methyl)-6-(4-methoxyphenyl)pyridazin-3(2h)-one 2-[1-(2-chloro-acetyl)-piperidin-4-ylmethyl]-6-(4-methoxy-phenyl)-2h-pyridazin-3-one 2-{[1-(2-chloroacetyl)piperidin-4-yl]methyl}-6-(4-methoxyphenyl)pyridazin-3-one AK505781 MCULE-1507328533 ZINC48623050

Inchi
InChI=1/C14H14N4O3.2ClH/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20;;/h1-9H,10-11H2,(H-,15,19);2*1H/b13-9-;;
Canonical Smiles
C1=CC(=C[NH+]=O)N(C=C1)COC[N+]2=CC=C(C=C2)C(=O)N.[Cl-].[Cl-]
Isomers Smiles
C1=C/C(=C/[NH+]=O)/N(C=C1)COC[N+]2=CC=C(C=C2)C(=O)N.[Cl-].[Cl-]
Properties
Melting Point
145-147°C
Safety and Handling
Safety Statements
Poison by intramuscular and intravenous routes. Moderately toxic by intraperitoneal routes. When heated to decomposition it emits toxic fumes of Cl− and 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:359.20784g/mol
  • Molecular Formula:C22H26N2O4
  • Exact Mass:358.059946
  • Monoisotopic Mass:358.059946
  • Complexity:465
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:90.5
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
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Recommended Suppliers
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:1-631-398-3562
  • Fax:1-631-207-8356
  • Tel:(416) 665-9696, 800-727-9240
  • Fax:
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:1-631-5046093
  • Fax:1-631-6147828
 
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