1H-Purine-2,6-dione, 8-hexyl-3,7-dihydro-1,3-dimethyl- (9CI)

Modify Date: 2024-09-20 16:31:36

1H-Purine-2,6-dione, 8-hexyl-3,7-dihydro-1,3-dimethyl- (9CI) structure	Common Name	1H-Purine-2,6-dione, 8-hexyl-3,7-dihydro-1,3-dimethyl- (9CI)
	CAS Number	5429-37-8	Molecular Weight	264.32300
	Density	1.191g/cm3	Boiling Point	482.2ºC at 760 mmHg
	Molecular Formula	C₁₃H₂₀N₄O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	245.4ºC

Name	8-hexyl-1,3-dimethyl-7H-purine-2,6-dione
Synonym	More Synonyms

Density	1.191g/cm3
Boiling Point	482.2ºC at 760 mmHg
Molecular Formula	C₁₃H₂₀N₄O₂
Molecular Weight	264.32300
Flash Point	245.4ºC
Exact Mass	264.15900
PSA	72.68000
LogP	1.08310
Index of Refraction	1.555

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH5700000

CHEMICAL NAME :: Theophylline, 8-hexyl-

CAS REGISTRY NUMBER :: 5429-37-8

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H20-N4-O2

MOLECULAR WEIGHT :: 264.37

WISWESSER LINE NOTATION :: T56 BM DN FNVNVJ C6 F1 H1

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 :: 500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 14,1202,1971

HS Code	2933990090

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%

8-Hexyltheophylline

Theophylline,8-hexyl

8-n-Hexyl-theophyllin

8-hexyl-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione

Xanthine,1,3-dimethyl-8-hexyl

8-hexyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione