Cas no 87215-92-7 (2,4(3H,5H)-Pyrimidinedione,6-[(3-chlorophenyl)amino]-5,5-diethyl-3-methyl-)

2,4(3H,5H)-Pyrimidinedione,6-[(3-chlorophenyl)amino]-5,5-diethyl-3-methyl- structure
87215-92-7 structure
Product Name:2,4(3H,5H)-Pyrimidinedione,6-[(3-chlorophenyl)amino]-5,5-diethyl-3-methyl-
CAS No:87215-92-7
MF:C15H18ClN3O2
MW:307.775322437286
CID:725533
Update Time:2024-01-31

2,4(3H,5H)-Pyrimidinedione,6-[(3-chlorophenyl)amino]-5,5-diethyl-3-methyl- Chemical and Physical Properties

Names and Identifiers

    • 2,4(3H,5H)-Pyrimidinedione,6-[(3-chlorophenyl)amino]-5,5-diethyl-3-methyl-
    • 5,5-Diethyl-4-(2-chlorophenyl)iminobarbituric acid
    • 6-(3-chloroanilino)-5,5-diethyl-3-methylpyrimidine-2,4-dione
    • Reaxys ID: 4521702
    • 2,4(3H,5H)-Pyrimidinedione, 6-[(3-chlorophenyl)amino]-5,5-diethyl-3-methyl-
    • Inchi: 1S/C15H18ClN3O2/c1-4-15(5-2)12(18-14(21)19(3)13(15)20)17-11-8-6-7-10(16)9-11/h6-9H,4-5H2,1-3H3,(H,17,18,21)
    • InChI Key: AVPQXQPDGIWWJW-UHFFFAOYSA-N
    • SMILES: C1(=O)N=C(NC2=CC=CC(Cl)=C2)C(CC)(CC)C(=O)N1C

Computed Properties

  • Exact Mass: 307.108755
  • Monoisotopic Mass: 307.108755
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 460
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 61.8

Experimental Properties

  • Density: 1.26
  • Boiling Point: 398.6°C at 760 mmHg
  • Flash Point: 194.9°C
  • Refractive Index: 1.595
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