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

Modify Date: 2024-01-08 17:58:51

1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)- (9CI) structure	Common Name	1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)- (9CI)
	CAS Number	1807-85-8	Molecular Weight	270.28700
	Density	1.33g/cm3	Boiling Point	489.6ºC at 760 mmHg
	Molecular Formula	C₁₄H₁₄N₄O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	249.9ºC

Name	7-benzyl-1,3-dimethylpurine-2,6-dione
Synonym	More Synonyms

Density	1.33g/cm3
Boiling Point	489.6ºC at 760 mmHg
Molecular Formula	C₁₄H₁₄N₄O₂
Molecular Weight	270.28700
Flash Point	249.9ºC
Exact Mass	270.11200
PSA	61.82000
LogP	0.48200
Vapour Pressure	9.87E-10mmHg at 25°C
Index of Refraction	1.67

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH4790000

CHEMICAL NAME :: Theophylline, 7-benzyl-

CAS REGISTRY NUMBER :: 1807-85-8

BEILSTEIN REFERENCE NO. :: 0305370

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C14-H14-N4-O2

MOLECULAR WEIGHT :: 270.32

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 :: 228 mg/kg

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

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 116,343,1956

Precursor 9
CAS#:58-55-9 Theophylline CAS#:100-44-7 Benzyl chloride CAS#:100-39-0 Benzyl bromide CAS#:100-51-6 Benzyl alcohol
CAS#:56160-64-6 7-benzyl-1,3,7-... CAS#:74-88-4 methyl iodide CAS#:115377-56-5 1-benzyl-4-(N-m... CAS#:56025-86-6 7-BENZYL-3-METH...
CAS#:86180-41-8 3,9-dimethyl-7-...
DownStream 0

Theophylline,7-benzyl

7-Benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

benzyl-7 dimethyl-1,3 xanthine

7-benzyl-1,3-dimethyl-3,7-dihydropurine-2,6-dione

7-benzyl-1,3-dimethylxanthine

7-benzyltheophylline

N-Benzyl xanthine

7-benzyl-3,7-dimethylxanthine