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