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Home> Encyclopedia > Hot Product Listed 2   > 2,5-Cyclohexadiene-1,4-dione,2,5-bis(1-aziridinyl)-
141922-90-9 structure

2,5-Cyclohexadiene-1,4-dione,2,5-bis(1-aziridinyl)-

Iupac Name:N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride
CAS No.:141922-90-9
Molecular Weight:386.273
Molecular Formula:C13H15NO3 (isomer)
Properties
Density
1.161
Vapour
1.75E-12mmHg at 25°C
Refractive Index
1.653
Safety and Handling
Safety
Poison by intraperitoneal route. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Specification

Safety Statements:22-36
22:Do not breathe dust
36:Wear suitable protective clothing
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:386.273g/mol
  • Molecular Formula:C13H15NO3
  • Compound Is Canonicalized:True
  • Exact Mass:385.096
  • Monoisotopic Mass:385.096
  • Complexity:523
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:61.9A^2
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceB7MAAGAAAAAAAAAAAAAAAAAAAAAAA8WLFiAAAAAACxAAAAHgIQAAAADS7hmCYyxoPABACI AiVSUAKCCAAlJwAAiIFNbsgOZjbFt5+XOWjm9hHY6YecyCCOACAAYAIIEAAAQADABBAgAAAAAAAA AA==
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