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CAS No.: | 832-66-6 |
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Name: | 1-Methylcaffeine |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C9H12 N4 O2 |
Molecular Weight: | 208.22 |
Synonyms: | Xanthine,1,3,7,8-tetramethyl- (6CI,7CI,8CI); 1,3,7,8-Tetramethylxanthine;8-Methylcaffeine; Methylcaffeine |
Density: | 1.4 g/cm3 |
Melting Point: | 210~211℃ |
Boiling Point: | 410.7 °C at 760 mmHg |
Flash Point: | 202.2 °C |
Solubility: | 2.175g/L(20 oC) |
PSA: | 61.82000 |
LogP: | -0.72090 |
IUPAC Name: 1,3,7,8-Tetramethylpurine-2,6-dione
Systematic of 1H-Purine-2,6-dione,3,7-dihydro-1,3,7,8-tetramethyl- (CAS NO.832-66-6): 1,3,7,8-Tetramethylxanthine 1-Methyl-caffeine ; 3,7-Dihydro-1,3,7,8-tetramethyl-1H-purine-2,6-dione ; 5-26-14-00172 (Beilstein Handbook Reference) ; 8-Methylcaffeine ; BRN 0220502 ; Methylcaffeine ; 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7,8-tetramethyl- (9CI) ; Xanthine, 1,3,7,8-tetramethyl-
CAS NO: 832-66-6
Molecular Formula of 1H-Purine-2,6-dione,3,7-dihydro-1,3,7,8-tetramethyl- (CAS NO.832-66-6): C9H12N4O2
Molecular Weight: 208.2172
Molecular Structure:
H bond acceptors: 6
Polar Surface Area: 58.44 Å2
Index of Refraction: 1.658
Molar Refractivity: 54.8 cm3
Molar Volume: 148.6 cm3
Surface Tension: 50.1 dyne/cm
Density of 1H-Purine-2,6-dione,3,7-dihydro-1,3,7,8-tetramethyl- (CAS NO.832-66-6): 1.4 g/cm3
Flash Point: 202.2 °C
Enthalpy of Vaporization: 66.31 kJ/mol
Boiling Point: 410.7 °C at 760 mmHg
Vapour Pressure: 5.89E-07 mmHg at 25°C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 100mg/kg (100mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#09192, |