Cas no 140201-06-5 (4(3H)-Pyrimidinone, 6-(1,1-dimethylethyl)-3-methyl-)

4(3H)-Pyrimidinone, 6-(1,1-dimethylethyl)-3-methyl- structure
140201-06-5 structure
Product Name:4(3H)-Pyrimidinone, 6-(1,1-dimethylethyl)-3-methyl-
CAS No:140201-06-5
MF:C9H14N2O
MW:166.220262050629
CID:1293698
Update Time:2024-08-04

4(3H)-Pyrimidinone, 6-(1,1-dimethylethyl)-3-methyl- Chemical and Physical Properties

Names and Identifiers

    • 4(3H)-Pyrimidinone, 6-(1,1-dimethylethyl)-3-methyl-
    • Inchi: 1S/C9H14N2O/c1-9(2,3)7-5-8(12)11(4)6-10-7/h5-6H,1-4H3
    • InChI Key: YFEGCBMZMWDGQC-UHFFFAOYSA-N
    • SMILES: C1=NC(C(C)(C)C)=CC(=O)N1C

Computed Properties

  • Exact Mass: 166.11072

Experimental Properties

  • Density: 1.01±0.1 g/cm3(Predicted)
  • Boiling Point: 234.5±23.0 °C(Predicted)
  • PSA: 32.67
  • pka: 2.19±0.68(Predicted)
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