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Cas Database |
| Name |
Diprophylline |
EINECS | 207-526-1 |
| CAS No. | 479-18-5 | Density | 1.57g/cm3 |
| PSA | 102.28000 | LogP | -2.21310 |
| Solubility | 33 g/100 mL (25 °C) in water | Melting Point |
161-162 °C(lit.) |
| Formula | C10H14N4O4 | Boiling Point | 589.6 °C at 760 mmHg |
| Molecular Weight | 254.246 | Flash Point | 310.4 °C |
| Transport Information | N/A | Appearance | white to light yellow crystal powder |
| Safety | 36-36/37-26 | Risk Codes | 22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn,  Xi
|
| Synonyms |
Theophylline,7-(2,3-dihydroxypropyl)- (8CI);7-(2,3-Dihydroxypropyl)-1,3-dimethylxanthine;7-(2,3-Dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione;7-(2,3-Dihydroxypropyl)theophylline;AFI-phyllin;Aristophyllin;Asthmolysin;Astmophysine;Athmolysin;Circain;Coronarin;Diphyllin;Diphylline;Diphylline (pharmaceutical);Diprofillin;Diprophyllin;Glyfyllin;Glyphyllin;Glyphylline;Hyphylline;Isophyllen;Lufyllin;NSC40844;Neophyl;Neostenovasan;Neothyllin;Neothylline;Neutrafil;Neutrafillina;Neutraphylline;Prophyllen;Protheophylline;Purifilin;Silbephylline;Solufilin;Solufyllin;Tefilan;Theal;Theal ampules;Thefulan; |
Article Data | 13 |
Diprophylline Chemical Properties
Product Name: Diprophylline (CAS NO.479-18-5)
Molecular Formula: C10H14N4O4
Molecular Weight: 254.24g/mol
Mol File: 479-18-5.mol
EINECS: 207-526-1
Appearance: white to light yellow crystal powder
Melting Point: 161-162 °C(lit.)
Boiling point: 589.6 °C at 760 mmHg
Flash Point: 310.4 °C
Density: 1.57 g/cm3
Water Solubility: 33 g/100 mL (25 °C)
Index of Refraction: 1.688
Molar Refractivity: 61.49 cm3
Molar Volume: 161.1 cm3
Surface Tension: 66.8 dyne/cm
Enthalpy of Vaporization: 92.54 kJ/mol
Vapour Pressure: 9.57E-15 mmHg at 25°C
XLogP3-AA: -1.8
H-Bond Donor: 2
H-Bond Acceptor: 5
Structure Descriptors of Diprophylline (CAS NO.479-18-5):
IUPAC Name: 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O
InChI: InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3
InChIKey: KSCFJBIXMNOVSH-UHFFFAOYSA-N
Product Categories: Alkaloids
Diprophylline Toxicity Data With Reference
| 1. | scu-rat LD50:1253 mg/kg | AEPPAE Naunyn-Schmiedebergs Archiv fuer Experimentelle Pathologie und Pharmakologie. 230 (1957),194. | ||
| 2. | ivn-rat LD50:860 mg/kg | AEPPAE Naunyn-Schmiedebergs Archiv fuer Experimentelle Pathologie und Pharmakologie. 230 (1957),194. | ||
| 3. | orl-mus LD50:1954 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 116 (1956),343. | ||
| 4. | ipr-mus LD50:1052 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),190. | ||
| 5. | scu-mus LD50:120 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 6 (1956),601. | ||
| 6. | ivn-mus LD50:1080 mg/kg | RPOBAR Research Progress in Organic Biological and Medicinal Chemistry. 2 (1970),288. |
Diprophylline Consensus Reports
Reported in EPA TSCA Inventory.
Diprophylline Safety Profile
Safety Information of Diprophylline (CAS NO.479-18-5):
Hazard Codes: Xn
,Xi
Risk Statements: 22-36/37/38
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 36-36/37-26
S36:Wear suitable protective clothing.
S36/37:Wear suitable protective clothing and gloves.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
RTECS: XH5100000
Diprophylline Specification
Diprophylline , its CAS NO. is 479-18-5, the synonyms are 7-(2,3-Dihydroxypropyl)theophylline ; 7-(2,3-Dihydroxypropyl)-1,3-dimethyl-purine-2,6-dione .
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