Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 1,3-dimethyl-8-prop-2-enyl-7H-purine-2,6-dione
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Stocking Period: Inquiry
Contact: Ms Wang

74039-62-6

74039-62-6 structure

Name: 1,3-dimethyl-8-prop-2-enyl-7H-purine-2,6-dione
Chemical Name: 1,3-dimethyl-8-prop-2-enyl-7H-purine-2,6-dione
CAS Number: 74039-62-6
Molecular Formula: C₁₀H₁₂N₄O₂
Molecular Weight: 220.22800
Create Date: 2017-08-15 18:32:31
Modify Date: 2024-01-10 14:39:47

Name	1,3-dimethyl-8-prop-2-enyl-7H-purine-2,6-dione
Synonyms	8-Allyl-1,3-dimethyl-3,7-dihydro-purin-2,6-dion 8-Allyltheophylline 8-Allyl-theophyllin 8-allyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione Theophylline,8-allyl 1,3-dimethyl-8-(prop-2-en-1-yl)-3,7-dihydro-1h-purine-2,6-dione

Density	1.316g/cm3
Boiling Point	466.6ºC at 760 mmHg
Molecular Formula	C₁₀H₁₂N₄O₂
Molecular Weight	220.22800
Flash Point	236ºC
Exact Mass	220.09600
PSA	72.68000
Index of Refraction	1.597

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH3859600

CHEMICAL NAME :: Theophylline, 8-allyl-

CAS REGISTRY NUMBER :: 74039-62-6

BEILSTEIN REFERENCE NO. :: 0212088

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C10-H12-N4-O2

MOLECULAR WEIGHT :: 220.26

WISWESSER LINE NOTATION :: T56 BM DN FNVNVJ C2U1 F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 200 mg/kg

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

REFERENCE :: JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 43,152,1954

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 180 mg/kg

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

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04390

157399-93-4

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Literature: Rybar, A.; Alfoeldi, J.; Smondrkova, I. Monatshefte fuer Chemie, 1994 , vol. 125, # 5 p. 565 - 570

6972-27-6

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Literature: Rybar, A.; Alfoeldi, J.; Smondrkova, I. Monatshefte fuer Chemie, 1994 , vol. 125, # 5 p. 565 - 570

5440-00-6

74039-62-6

Literature: Rybar, A.; Alfoeldi, J.; Smondrkova, I. Monatshefte fuer Chemie, 1994 , vol. 125, # 5 p. 565 - 570

157399-92-3

74039-62-6

Literature: Rybar, A.; Alfoeldi, J.; Smondrkova, I. Monatshefte fuer Chemie, 1994 , vol. 125, # 5 p. 565 - 570

99171-67-2

74039-62-6

157399-90-1

Literature: Rybar, A.; Alfoeldi, J.; Smondrkova, I. Monatshefte fuer Chemie, 1994 , vol. 125, # 5 p. 565 - 570

5440-00-6

625-38-7

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Literature: Hager et al. Journal of the American Pharmaceutical Association (1912-1977), 1954 , vol. 43, p. 152,154

Precursor 3
6972-27-6 5440-00-6 625-38-7
DownStream 0

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