Cas no 389606-12-6 (5-Pyrimidinecarbonitrile, 2-chloro-4-(ethylamino)-)

5-Pyrimidinecarbonitrile, 2-chloro-4-(ethylamino)- structure
389606-12-6 structure
Product Name:5-Pyrimidinecarbonitrile, 2-chloro-4-(ethylamino)-
CAS No:389606-12-6
MF:C7H7ClN4
MW:182.610279321671
CID:1496316
Update Time:2024-08-24

5-Pyrimidinecarbonitrile, 2-chloro-4-(ethylamino)- Chemical and Physical Properties

Names and Identifiers

    • 5-Pyrimidinecarbonitrile, 2-chloro-4-(ethylamino)-
    • Inchi: 1S/C7H7ClN4/c1-2-10-6-5(3-9)4-11-7(8)12-6/h4H,2H2,1H3,(H,10,11,12)
    • InChI Key: FUOXREHHVBLXAU-UHFFFAOYSA-N
    • SMILES: C1(Cl)=NC=C(C#N)C(NCC)=N1

Computed Properties

  • Exact Mass: 182.03611

Experimental Properties

  • Density: 1.32±0.1 g/cm3(Predicted)
  • Boiling Point: 414.5±30.0 °C(Predicted)
  • PSA: 61.6
  • pka: -0.11±0.10(Predicted)
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