Theacrine

CAS Registry Number®

2309-49-1
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CAS Name

Theacrine

Molecular Formula

C9H12N4O3

Molecular Mass

224.22

Cite this Page

Theacrine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2309-49-1 (retrieved 2024-04-20) (CAS RN: 2309-49-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    226 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H12N4O3/c1-10-5-6(11(2)8(10)15)12(3)9(16)13(4)7(5)14/h1-4H3

InChIKey

InChIKey=QGDOQULISIQFHQ-UHFFFAOYSA-N

SMILES

CN1C2=C(N(C)C1=O)N(C)C(=O)N(C)C2=O

Canonical SMILES

O=C1C2=C(N(C(=O)N1C)C)N(C(=O)N2C)C

Other Names for this Substance

  • 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-1,3,7,9-tetramethyl-
  • Uric acid, 1,3,7,9-tetramethyl-
  • 7,9-Dihydro-1,3,7,9-tetramethyl-1H-purine-2,6,8(3H)-trione
  • Tetramethyluric acid
  • Temorine

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