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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]-
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Purity: 98.0%
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57000-13-2

57000-13-2 structure

57000-13-2 structure

Name: 1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]-
Chemical Name: 8-(benzylamino)-1,3-dimethyl-7H-purine-2,6-dione
CAS Number: 57000-13-2
Molecular Formula: C₁₄H₁₅N₅O₂
Molecular Weight: 285.30100
Create Date: 2017-07-20 20:30:05
Modify Date: 2025-10-09 18:50:00

Name	8-(benzylamino)-1,3-dimethyl-7H-purine-2,6-dione
Synonyms	8-<(phenylmethyl)amino>theophylline 8-(benzylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 8-Benzylamino-1,3-dimethyl-3,7-dihydro-purin-2,6-dion 8-benzylamino-1,3-dimethyl-3,7(9)-dihydro-purine-2,6-dione 8-(Benzylamino)theophylline 1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-8-((phenylmethyl)amino) Theophylline,8-benzylamino 8-benzylamino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione 3,7-Dihydro-1,3-dimethyl-8-((phenylmethyl)amino)-1H-purine-2,6-dione

Density	1.404g/cm3
Boiling Point	539.3ºC at 760mmHg
Molecular Formula	C₁₄H₁₅N₅O₂
Molecular Weight	285.30100
Flash Point	280ºC
Exact Mass	285.12300
PSA	84.71000
LogP	0.64540
Index of Refraction	1.685

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UO8427950

CHEMICAL NAME :: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-((phenylmethyl)amino)-

CAS REGISTRY NUMBER :: 57000-13-2

BEILSTEIN REFERENCE NO. :: 0309350

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C14-H15-N5-O2

MOLECULAR WEIGHT :: 285.34

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 300 mg/kg

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

REFERENCE :: PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 33,203,1981

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1340 mg/kg

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

REFERENCE :: PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 27,305,1975

100-46-9 structure

100-46-9

~86%

57000-13-2 structure

57000-13-2

Literature: Blythin; Kaminski; Domalski; Spitler; Solomon; Conn; Wong; Verbiar; Bober; Chiu Journal of Medicinal Chemistry, 1986 , vol. 29, # 6 p. 1099 - 1113

Precursor 1
100-46-9
DownStream 3
102212-89-5 120538-01-4 114431-60-6

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