2-[2-(2-Amino-9H-purin-9-yl)ethyl]-3-hydroxypropyl acetate

CAS Registry Number®

104227-88-5

CAS Name

2-[2-(2-Amino-9H-purin-9-yl)ethyl]-3-hydroxypropyl acetate

Molecular Formula

C12H17N5O3

Molecular Mass

279.30

Cite this Page

2-[2-(2-Amino-9H-purin-9-yl)ethyl]-3-hydroxypropyl acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=104227-88-5 (retrieved 2024-11-22) (CAS RN: 104227-88-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    166-168 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C12H17N5O3/c1-8(19)20-6-9(5-18)2-3-17-7-15-10-4-14-12(13)16-11(10)17/h4,7,9,18H,2-3,5-6H2,1H3,(H2,13,14,16)

InChIKey

InChIKey=OUMGIMAEASXOJH-UHFFFAOYSA-N

SMILES

C(CC(COC(C)=O)CO)N1C=2C(N=C1)=CN=C(N)N2

Canonical SMILES

O=C(OCC(CO)CCN1C=NC=2C=NC(=NC21)N)C

Other Names for this Substance

  • 1,3-Propanediol, 2-[2-(2-amino-9H-purin-9-yl)ethyl]-, 1-acetate
  • 1,3-Propanediol, 2-[2-(2-amino-9H-purin-9-yl)ethyl]-, monoacetate (ester)
  • 2-[2-(2-Amino-9H-purin-9-yl)ethyl]-3-hydroxypropyl acetate
  • BRL 43594
  • 2-(Hydroxymethyl)-4-(2-imino-1H-purin-9(2H)-yl)butyl acetate

Deleted or Replaced CAS Registry Numbers

120687-07-2

CAS INSIGHTSTM
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