8-(Bis(2-hydroxyethyl)amino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

Modify Date: 2025-09-10 16:51:56

8-(Bis(2-hydroxyethyl)amino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione Structure
8-(Bis(2-hydroxyethyl)amino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione structure
Common Name 8-(Bis(2-hydroxyethyl)amino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS Number 94523-37-2 Molecular Weight 297.31000
Density 1.46g/cm3 Boiling Point 546.1ºC at 760 mmHg
Molecular Formula C12H19N5O4 Melting Point N/A
MSDS N/A Flash Point 284.1ºC

 Names

Name 8-[bis(2-hydroxyethyl)amino]-1,3,7-trimethylpurine-2,6-dione

 Chemical & Physical Properties

Density 1.46g/cm3
Boiling Point 546.1ºC at 760 mmHg
Molecular Formula C12H19N5O4
Molecular Weight 297.31000
Flash Point 284.1ºC
Exact Mass 297.14400
PSA 105.52000
Index of Refraction 1.653
InChIKey MDBADRPVSIUQBL-UHFFFAOYSA-N
SMILES Cn1c(=O)c2c(nc(N(CCO)CCO)n2C)n(C)c1=O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO8412531
CHEMICAL NAME :
1H-Purine-2,6-dione, 3,7-dihydro-8-(bis(2-hydroxyethyl)amino)-1,3,7-trimet hyl-
CAS REGISTRY NUMBER :
94523-37-2
BEILSTEIN REFERENCE NO. :
1026636
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H19-N5-O4
MOLECULAR WEIGHT :
297.36

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 :
1414 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FMTYA2 Farmatsiya (Sofia). (Hemus, Blvd. Russki 6, Sofia, Bulgaria) V.1- 1951- Volume(issue)/page/year: 40(4),29,1990

 Safety Information

HS Code 2933990090

 Customs

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%
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