Cas no 686300-58-3 (4-Amino-1-(6-(hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-1,3,5-triazin-2(1H)-one)

4-Amino-1-(6-(hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-1,3,5-triazin-2(1H)-one structure
686300-58-3 structure
Product Name:4-Amino-1-(6-(hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-1,3,5-triazin-2(1H)-one
CAS No:686300-58-3
MF:C11H16N4O5
MW:284.268542289734
MDL:MFCD25542410
CID:1090415
PubChem ID:319607
Update Time:2025-04-20

4-Amino-1-(6-(hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-1,3,5-triazin-2(1H)-one Chemical and Physical Properties

Names and Identifiers

    • 4-Amino-1-(6-(hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-1,3,5-triazin-2(1H)-one
    • 4-aMino-1-[2,3-O-(1-Methylethylidene)pentofuranosyl]-1,3,5-Triazin-2(1H)-one
    • MFCD25542410
    • NSC-264079
    • AKOS022175628
    • 65370-90-3
    • NSC264079
    • DTXSID20983987
    • CHEMBL1968601
    • CS-B1099
    • NCI60_002116
    • AS-42107
    • 4-Imino-1-[2,3-O-(1-methylethylidene)pentofuranosyl]-1,4-dihydro-1,3,5-triazin-2-ol
    • A867010
    • 686300-58-3
    • 4-amino-1-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,3,5-triazin-2-one
    • 4-amino-1-[4-(hydroxymethyl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]oct-2-yl]-1,3,5-triazin-2-one
    • MDL: MFCD25542410
    • Inchi: 1S/C11H16N4O5/c1-11(2)19-6-5(3-16)18-8(7(6)20-11)15-4-13-9(12)14-10(15)17/h4-8,16H,3H2,1-2H3,(H2,12,14,17)
    • InChI Key: JPOUCJFPOOJFME-UHFFFAOYSA-N
    • SMILES: O1C(C)(C)OC2C(N3C=NC(N)=NC3=O)OC(CO)C12

Computed Properties

  • Exact Mass: 284.11206962g/mol
  • Monoisotopic Mass: 284.11206962g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 491
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.6
  • Topological Polar Surface Area: 119?2

Experimental Properties

  • Density: 1.8±0.1 g/cm3
  • Boiling Point: 454.4±55.0 °C at 760 mmHg
  • Flash Point: 228.6±31.5 °C
  • Vapor Pressure: 0.0±2.5 mmHg at 25°C

4-Amino-1-(6-(hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-1,3,5-triazin-2(1H)-one Security Information

4-Amino-1-(6-(hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-1,3,5-triazin-2(1H)-one Pricemore >>

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