1-Butyl-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

CAS Registry Number®

1143-30-2

CAS Name

1-Butyl-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Molecular Formula

C11H16N4O2

Molecular Mass

236.27

Cite this Page

1-Butyl-3,7-dihydro-3,7-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=1143-30-2 (retrieved 2024-11-22) (CAS RN: 1143-30-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    108 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C11H16N4O2/c1-4-5-6-15-10(16)8-9(12-7-13(8)2)14(3)11(15)17/h7H,4-6H2,1-3H3

InChIKey

InChIKey=ZCUPBJOZMPROIJ-UHFFFAOYSA-N

SMILES

O=C1C2=C(N(C)C(=O)N1CCCC)N=CN2C

Canonical SMILES

O=C1C2=C(N=CN2C)N(C(=O)N1CCCC)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 1-butyl-3,7-dihydro-3,7-dimethyl-
  • Theobromine, 1-butyl-
  • 1-Butyl-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
  • 1-n-Butyl-3,7-dimethylxanthine
  • 1-Butyl-3,7-dimethylxanthine

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Deleted or Replaced CAS Registry Numbers

102821-89-6

CAS INSIGHTSTM
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