1H-Purine-2,6-dione,1-(2,3-dihydroxypropyl)-3,7-dihydro-3,7-dimethyl-

Modify Date: 2024-04-03 15:54:01

1H-Purine-2,6-dione,1-(2,3-dihydroxypropyl)-3,7-dihydro-3,7-dimethyl- structure	Common Name	1H-Purine-2,6-dione,1-(2,3-dihydroxypropyl)-3,7-dihydro-3,7-dimethyl-
	CAS Number	13460-96-3	Molecular Weight	254.24300
	Density	1.57g/cm3	Boiling Point	592.3ºC at 760mmHg
	Molecular Formula	C₁₀H₁₄N₄O₄	Melting Point	N/A
	MSDS	N/A	Flash Point	312ºC

Name	1-(2,3-dihydroxypropyl)-3,7-dimethylpurine-2,6-dione
Synonym	More Synonyms

Density	1.57g/cm3
Boiling Point	592.3ºC at 760mmHg
Molecular Formula	C₁₀H₁₄N₄O₄
Molecular Weight	254.24300
Flash Point	312ºC
Exact Mass	254.10200
PSA	102.28000
Vapour Pressure	7.11E-15mmHg at 25°C
Index of Refraction	1.688
Storage condition	2-8℃

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH2378700

CHEMICAL NAME :: Theobromine, 1-(2,3-dihydroxypropyl)-

CAS REGISTRY NUMBER :: 13460-96-3

BEILSTEIN REFERENCE NO. :: 0284032

LAST UPDATED :: 199706

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C10-H14-N4-O4

MOLECULAR WEIGHT :: 254.28

WISWESSER LINE NOTATION :: T56 BN DN FNVNVJ B1 F1 H1YQ1Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3370 mg/kg

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

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 6,457,1956

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1920 mg/kg

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

REFERENCE :: APPHAX Acta Poloniae Pharmaceutica. For English translation, see APPFAR. (Ars Polona, POB 1001, 00-680 Warsaw 1, Poland) V.1- 1937- Volume(issue)/page/year: 18,335,1961

HS Code	2933990090

Theobromine

CAS#:83-67-0

3-Chloro-1,2-pr...

CAS#:96-24-2

1H-Purine-2,6-d...

CAS#:13460-96-3

Literature: Bayer and Co. Patent: DE191106 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 8, p. 1136

Theobromine

CAS#:83-67-0

Glycidol

CAS#:556-52-5

1H-Purine-2,6-d...

CAS#:13460-96-3

Literature: Roth Archiv der Pharmazie (Weinheim, Germany), 1959 , vol. 292, p. 234,236,237

Precursor 3
CAS#:83-67-0 Theobromine CAS#:96-24-2 3-Chloro-1,2-pr... CAS#:556-52-5 Glycidol
DownStream 0

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%

1-(2,3-dihydroxy-propyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione

EINECS 236-660-3

Theocardin

Theocardine

1-Dihydroxypropyltheobromine

1-(2,3-Dihydroxypropyl)-theobromin

1-(2,3-Dihydoxypropyl)-theobromin

1-(2,3-Dihydroxypropyl)theobromine

Isobromin

1-(2,3-Dihydroxy-propyl)-3,7-dimethyl-3,7-dihydro-purin-2,6-dion

1-(2,3-Dihydroxypropyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

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1H-Purine-2,6-dione,1-(2,3-dihydroxypropyl)-3,7-dihydro-3,7-dimethyl-

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

Customs

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.