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Home> Encyclopedia > Hot Product Listed 2   > 2,5-Cyclohexadiene-1,4-dione,2,5-bis(1-aziridinyl)-
1235205-09-0 structure

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

Iupac Name:methyl 4-[(1,3-benzothiazole-2-carbonylamino)methyl]piperidine-1-carboxylate
CAS No.:1235205-09-0
Molecular Weight:333.406
Molecular Formula:C13H15NO3 (isomer)
Properties
Density
1.161
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
Computational chemical data
  • Molecular Weight:333.406g/mol
  • Molecular Formula:C13H15NO3
  • Compound Is Canonicalized:True
  • Exact Mass:333.115
  • Monoisotopic Mass:333.115
  • Complexity:440
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:99.8A^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
  • CACTVS Substructure Key Fingerprint: AAADceB7MABAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHgQQAAAADQjB1gYyybPIFAis ASVyXACD8KBjCjhImLy4ZJgIYKLgkbGUIAhglgDoyAcQAAAKAAAAAAAAAQAAAAAAAAACAAAAAAAA AA==
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