Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Palmitic acid
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 1H-Purine-2,6-dione, 8-(3-cyclohexen-1-yl)-3,7-dihydro-1,3-dimethyl- (9CI)
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
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74039-68-2

74039-68-2 structure

74039-68-2 structure

Name: 1H-Purine-2,6-dione, 8-(3-cyclohexen-1-yl)-3,7-dihydro-1,3-dimethyl- (9CI)
Chemical Name: 8-cyclohex-3-en-1-yl-1,3-dimethyl-7H-purine-2,6-dione
CAS Number: 74039-68-2
Molecular Formula: C₁₃H₁₆N₄O₂
Molecular Weight: 260.29200
Create Date: 2017-11-15 14:24:55
Modify Date: 2024-12-11 11:42:44

Name	8-cyclohex-3-en-1-yl-1,3-dimethyl-7H-purine-2,6-dione
Synonyms	8-(3-Cyclohexen-1-yl)theophylline Theophylline,8-(3-cyclohexen-1-yl) 1H-Purine-2,6-dione,8-(3-cyclohexen-1-yl)-3,7-dihydro-1,3-dimethyl

Density	1.318g/cm3
Boiling Point	524ºC at 760 mmHg
Molecular Formula	C₁₃H₁₆N₄O₂
Molecular Weight	260.29200
Flash Point	270.7ºC
Exact Mass	260.12700
PSA	72.68000
LogP	0.78400
Index of Refraction	1.611

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH5093320

CHEMICAL NAME :: Theophylline, 8-(3-cyclohexen-1-yl)-

CAS REGISTRY NUMBER :: 74039-68-2

LAST UPDATED :: 197906

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H16-N4-O2

MOLECULAR WEIGHT :: 260.33

WISWESSER LINE NOTATION :: T56 BM DN FNVNVJ C- CL6UTJ& F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 18 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#06896

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