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

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Names

[ CAS No. ]:
57000-13-2

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

[Synonym ]:
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

Chemical & Physical Properties

[ 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

Toxicological Information

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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Benzylamine

DownStream

  • Pyrimido[2,1-f]purine-2,4,8(1H,3H,9H)-trione,6-hydroxy-1,3-dimethyl-7-nitroso-9-(phenylmethyl)-
  • 9-benzyl-1,3-dimethylpurino[7,8-a]pyrimidine-2,4,8-trione
  • 9-benzyl-1,3-dimethyl-6,7-dihydropurino[7,8-a]pyrimidine-2,4,8-trione

Related Compounds

  • (S)-tert-Butyl 3-benzyl-3-(1,2,2-trimethylhydrazinecarbonyl)piperidine-1-carboxylate
  • 2-(4-Methyl-1,2,3,6-tetrahydropyridin-1-yl)ethan-1-amine
  • Ethyl 1,3-dihydro-1-oxo-2H-isoindole-2-acetate
  • 4-Methoxy-2-methyl-3-nitrobenzonitrile
  • 7-methoxy-1H-indole-4-carbaldehyde
  • 5-bromo-2-(4-fluorophenyl)-1H-indole
  • 2,4,5-Trifluoro-6-(trifluoromethyl)pyrimidine
  • [(R)-[(2S,4S,5R)-5-ethenyl-5-hydroxy-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] acetate
  • 2-{2-[4-(3-chlorophenyl)piperazino]-2-oxoethyl}-1(2H)-phthalazinone
  • 6-(6,7-dimethoxyquinolin-4-yloxy)-N-methyl-1-naphthamide
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