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5096-27-5

5096-27-5 structure

5096-27-5 structure

Name: 7-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
Chemical Name: 7-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
CAS Number: 5096-27-5
Molecular Formula: C₁₆H₂₃N₅O₃
Molecular Weight: 333.38600
Create Date: 2018-06-16 20:06:45
Modify Date: 2025-09-21 12:53:46

Name	7-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
Synonyms	7-<2-Hydroxy-3-diallylamino-propyl>-theophyllin

Density	1.23g/cm3
Boiling Point	551.1ºC at 760 mmHg
Molecular Formula	C₁₆H₂₃N₅O₃
Molecular Weight	333.38600
Flash Point	287.1ºC
Exact Mass	333.18000
PSA	85.29000
Index of Refraction	1.597

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH5093924

CHEMICAL NAME :: Theophylline, 7-(3-(diallylamino)-2-hydroxypropyl)-

CAS REGISTRY NUMBER :: 5096-27-5

BEILSTEIN REFERENCE NO. :: 0572671

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C16-H23-N5-O3

MOLECULAR WEIGHT :: 333.44

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 :: 455 mg/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes

REFERENCE :: DIPHAH Dissertationes Pharmaceuticae. (Warsaw, Poland) V.1-17, 1949-65. For publisher information, see PJPPAA. Volume(issue)/page/year: 17,475,1965

HS Code	2933990090

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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