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Isocaffeine
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Isocaffeine

CAS: 519-32-4

Ref. TR-I789200

1g
2,327.00 €
100mg
350.00 €
500mg
1,487.00 €
Estimated delivery in United States, on Tuesday 26 Nov 2024

Product Information

Name:
Isocaffeine
Synonyms:
  • Caffeine Imp. C (EP)
  • 1,3,9-Trimethyl-3,9-dihydro-1H-purine-2,6-dione
  • Caffeine Impurity C
  • 1,3,9-Trimethyl-1H-purine-2,6(3H,9H)-dione
  • 1,3,9-Trimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione
  • 1,3,9-Trimethylpurine-2,6-dione
  • 1,3,9-Trimethylxanthine
  • 1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione
  • 1H-Purine-2,6-dione, 3,9-dihydro-1,3,9-trimethyl-
  • 3,9-Dihydro-1,3,9-trimethyl-1H-purine-2,6-dione
  • See more synonyms
  • 9-Methyltheophylline
  • NSC 28332
Description:

Applications Isocaffeine is an impurity of Caffeine (C080100), a xanthine alkaloid that acts as a stimulant drug and a reversible acetylcholinesterase inhibitor.
References Zubair, U.M., et al.: Anal. Profiles Drug Subs., 15, 71 (1986); Cherrah, Y., et al.: Biochem. Pharmacol., 37, 1311 (1988);

Notice:
Our products are intended for lab use only. For any other use, please contact us.
Brand:
TRC
Long term storage:
Notes:

Chemical properties

Molecular weight:
194.19
Formula:
C8H10N4O2
Color/Form:
White To Off-White
InChI:
InChI=1S/C8H10N4O2/c1-10-4-9-5-6(10)11(2)8(14)12(3)7(5)13/h4H,1-3H3
InChI key:
InChIKey=LPHGQDQBBGAPDZ-UHFFFAOYSA-N
SMILES:
Cn1c(=O)c2ncn(C)c2n(C)c1=O
MDL:
Melting point:
Boiling point:
Flash point:
Density:
Concentration:
EINECS:
Merck:
HS code:

Hazard Info

UN Number:
EQ:
Class:
H Statements:
P Statements:
Forbidden to fly:
Hazard Info:
Packing Group:
LQ:

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