Cas no 55544-76-8 (9H-Purin-6-amine, 9-(1-naphthalenylmethyl)-)

9H-Purin-6-amine, 9-(1-naphthalenylmethyl)- structure
55544-76-8 structure
Product Name:9H-Purin-6-amine, 9-(1-naphthalenylmethyl)-
CAS No:55544-76-8
MF:C16H13N5
MW:275.307922124863
CID:1594234
Update Time:2024-08-30

9H-Purin-6-amine, 9-(1-naphthalenylmethyl)- Chemical and Physical Properties

Names and Identifiers

    • 9H-Purin-6-amine, 9-(1-naphthalenylmethyl)-
    • Inchi: 1S/C16H13N5/c17-15-14-16(19-9-18-15)21(10-20-14)8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,9-10H,8H2,(H2,17,18,19)
    • InChI Key: IECKJRDJUKFGLB-UHFFFAOYSA-N
    • SMILES: N1C2C(=NC=NC=2N)N(CC2=C3C(C=CC=C3)=CC=C2)C=1

Computed Properties

  • Exact Mass: 275.11729

Experimental Properties

  • Density: 1.39±0.1 g/cm3(Predicted)
  • Melting Point: 273-275 °C
  • Boiling Point: 573.6±60.0 °C(Predicted)
  • PSA: 69.62
  • pka: 4.17±0.10(Predicted)
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