3-(6-Amino-9H-purin-9-yl)-1,2-propanediol

CAS Registry Number®

55904-02-4
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CAS Name

3-(6-Amino-9H-purin-9-yl)-1,2-propanediol

Molecular Formula

C8H11N5O2

Molecular Mass

209.21

Cite this Page

3-(6-Amino-9H-purin-9-yl)-1,2-propanediol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=55904-02-4 (retrieved 2024-08-02) (CAS RN: 55904-02-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    205-207 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H11N5O2/c9-7-6-8(11-3-10-7)13(4-12-6)1-5(15)2-14/h3-5,14-15H,1-2H2,(H2,9,10,11)

InChIKey

InChIKey=GSLQFBVNOFBPRJ-UHFFFAOYSA-N

SMILES

C(C(CO)O)N1C=2C(N=C1)=C(N)N=CN2

Canonical SMILES

OCC(O)CN1C=NC=2C(=NC=NC21)N

Other Names for this Substance

  • 1,2-Propanediol, 3-(6-amino-9H-purin-9-yl)-
  • 1,2-Propanediol, 3-(6-amino-9H-purin-9-yl)-, (±)-
  • 3-(6-Amino-9H-purin-9-yl)-1,2-propanediol
  • (±)-9-(2′,3′-Dihydroxypropyl)adenine
  • (RS)-9-(2,3-Dihydroxypropyl)adenine

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Deleted or Replaced CAS Registry Numbers

716-17-6