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37789-28-9

37789-28-9 structure
37789-28-9 structure

Name 8-amino-1,3,7-trimethylpurine-2,6-dione
Synonyms 8-amino-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione
8-amino-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
1H-Purine-2,6-dione,3,7-dihydro-8-amino-1,3,7-trimethyl
Caffeine,8-amino
8-amino-1,3,7-trimethylxanthine
8-Aminocaffeine
8-Amino-1,3,7-trimethyl-3,7-dihydro-purin-2,6-dion
3,7-Dihydro-8-amino-1,3,7-trimethyl-1H-purine-2,6-dione
8-Amino-1,3,7-trimethyl-2,6-dioxo-1H,3H,7H-xanthine
Density 1.6g/cm3
Boiling Point 456.6ºC at 760 mmHg
Molecular Formula C8H11N5O2
Molecular Weight 209.20500
Flash Point 229.9ºC
Exact Mass 209.09100
PSA 87.84000
Index of Refraction 1.735

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO8412200
CHEMICAL NAME :
1H-Purine-2,6-dione, 3,7-dihydro-8-amino-1,3,7-trimethyl-
CAS REGISTRY NUMBER :
37789-28-9
BEILSTEIN REFERENCE NO. :
0232627
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H11-N5-O2
MOLECULAR WEIGHT :
209.24

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 41,385,1989
HS Code 2933990090

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Literature: Settimo, Antonio Da; Primofiore, Giampaolo; Cristina, Bertacchi Maria; Settimo, Federico Da; Marini, Anna Maria Journal of Heterocyclic Chemistry, 1995 , vol. 32, # 3 p. 941 - 946

~43%

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Literature: Mosselhi, Mosselhi A.; Pfleiderer, Wolfgang Helvetica Chimica Acta, 2010 , vol. 93, # 11 p. 2115 - 2134

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Literature: Gomberg American Chemical Journal, 1900 , vol. 23, p. 64

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37789-28-9 structure

37789-28-9

Literature: Zimmer; Mettalia Journal of Organic Chemistry, 1959 , vol. 24, p. 1813

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37789-28-9 structure

37789-28-9

Literature: Mosselhi, Mosselhi A. N.; Abbass, Ikhlass M. Bulletin of the Polish Academy of Sciences, Chemistry, 1993 , vol. 41, # 3 p. 179 - 186

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37789-28-9

Literature: Zimmer; Mettalia Journal of Organic Chemistry, 1959 , vol. 24, p. 1813

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37789-28-9 structure

37789-28-9

Literature: Mueller, Christa E.; Sauer, Roland; Geis, Uli; Frobenius, Wolfram; Talik, Przemyslaw; Pawlowski, Muciej Archiv der Pharmazie, 1997 , vol. 330, # 6 p. 181 - 189

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37789-28-9 structure

37789-28-9

Literature: Koyama, Matajiro; Kozuka, Hiroshi; Takada, Atsushi Journal of Heterocyclic Chemistry, 1991 , vol. 28, # 3 p. 801 - 804
HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%