IUPAC Name: 8-Benzyl-1,3-dimethyl-7H-purine-2,6-dione
Systematic of 1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(phenylmethyl)- (CAS NO.2879-15-4): 8-Benzyltheophylline ; EINECS 220-725-8 ; NSC 14131 ; 8-Benzyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione ; Theophylline, 8-benzyl-
CAS NO: 2879-15-4
Molecular Formula of 1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(phenylmethyl)- (CAS NO.2879-15-4): C14H14N4O2
Molecular Weight: 270.2866
Molecular Structure:
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 58.44 Å2
Index of Refraction: 1.635
Molar Refractivity: 72.46 cm3
Molar Volume: 202.3 cm3
Surface Tension: 60.6 dyne/cm
Density of 1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(phenylmethyl)- (CAS NO.2879-15-4): 1.335 g/cm3
Flash Point: 290.4 °C
Enthalpy of Vaporization: 83.81 kJ/mol
Boiling Point: 556.5 °C at 760 mmHg
Vapour Pressure: 2.02E-12 mmHg at 25°C
1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(phenylmethyl)- (CAS NO.2879-15-4) is used as pharmaceutical Intermediates.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | intraperitoneal | 300mg/kg (300mg/kg) | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 42, Pg. 36, 1952. |
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