1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]-

Modify Date: 2024-04-05 13:34:45

1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]- structure	Common Name	1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]-
	CAS Number	57000-13-2	Molecular Weight	285.30100
	Density	1.404g/cm3	Boiling Point	539.3ºC at 760mmHg
	Molecular Formula	C₁₄H₁₅N₅O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	280ºC

Name	8-(benzylamino)-1,3-dimethyl-7H-purine-2,6-dione
Synonym	More Synonyms

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

Benzylamine

CAS#:100-46-9

~86%

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

CAS#: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
CAS#:100-46-9 Benzylamine
DownStream 3
CAS#:102212-89-5 Pyrimido[2,1-f]... CAS#:120538-01-4 9-benzyl-1,3-di... CAS#:114431-60-6 9-benzyl-1,3-di...

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

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Product Name: 1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]-
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1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]-

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream

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.