Cas no 13005-91-9 (2-Pteridinamine, 4-(phenylmethoxy)-)

2-Pteridinamine, 4-(phenylmethoxy)- structure
13005-91-9 structure
Product Name:2-Pteridinamine, 4-(phenylmethoxy)-
CAS No:13005-91-9
MF:C13H11N5O
MW:253.259341478348
CID:1225289
Update Time:2024-08-04

2-Pteridinamine, 4-(phenylmethoxy)- Chemical and Physical Properties

Names and Identifiers

    • 2-Pteridinamine, 4-(phenylmethoxy)-
    • Inchi: 1S/C13H11N5O/c14-13-17-11-10(15-6-7-16-11)12(18-13)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,16,17,18)
    • InChI Key: LPEVBNRUOUKBST-UHFFFAOYSA-N
    • SMILES: N1=C2C(N=CC=N2)=C(OCC2=CC=CC=C2)N=C1N

Computed Properties

  • Exact Mass: 253.09653

Experimental Properties

  • Density: 1.380±0.06 g/cm3(Predicted)
  • Boiling Point: 516.6±60.0 °C(Predicted)
  • PSA: 86.81
  • pka: 3.56±0.10(Predicted)
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