7-(2-Aminoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

CAS Registry Number®

35206-02-1

CAS Name

7-(2-Aminoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

Molecular Formula

C9H13N5O2

Molecular Mass

223.23

Cite this Page

7-(2-Aminoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=35206-02-1 (retrieved 2024-11-22) (CAS RN: 35206-02-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    187-190 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H13N5O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4,10H2,1-2H3

InChIKey

InChIKey=XUTQHTZFMFGXDJ-UHFFFAOYSA-N

SMILES

C(CN)N1C2=C(N(C)C(=O)N(C)C2=O)N=C1

Canonical SMILES

O=C1C2=C(N=CN2CCN)N(C(=O)N1C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 7-(2-aminoethyl)-3,7-dihydro-1,3-dimethyl-
  • Theophylline, 7-(2-aminoethyl)-
  • 7-(2-Aminoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
  • 7-(2-Aminoethyl)theophylline
  • 7-(Aminoethyl)theophylline

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