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Basic Information
CAS No.: 2879-15-4
Name: 8-BENZYLTHEOPHYLLINE
Molecular Structure:
Molecular Structure of 2879-15-4 (8-BENZYLTHEOPHYLLINE)
Formula: C14H14N4O2
Molecular Weight: 270.291
Synonyms: 1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)- (9CI);Theophylline, 8-benzyl- (7CI,8CI);NSC 14131;
EINECS: 220-725-8
Density: 1.336 g/cm3
Melting Point: 298-300oC
Boiling Point: 556.486 °C at 760 mmHg
Flash Point: 290.353 °C
PSA: 72.68000
LogP: 0.55110
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    8 BENZYL THEOPHYLLINE

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Chemistry

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

Uses

 1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(phenylmethyl)- (CAS NO.2879-15-4) is used as pharmaceutical Intermediates.

Toxicity Data With Reference

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.