Aminophyllin
Bezeichnung:Aminophyllin
CAS-Nr317-34-0
Englisch Name:Aminophylline
CBNumberCB8145350
SummenformelC9H16N6O2
Molgewicht240.27
MOL-Datei317-34-0.mol
Synonyma
Aminophyllin
Aminophyllin physikalisch-chemischer Eigenschaften
Schmelzpunkt | 269-270 °C |
storage temp. | Inert atmosphere,Store in freezer, under -20°C |
Löslichkeit | H2O: 3.7 mg/mL solutions should be freshly prepared. |
Aggregatzustand | powder |
pka | pKa 5.0 (Uncertain) |
Farbe | white to off-white |
Wasserlöslichkeit | soluble |
Merck | 14,465 |
InChI | InChI=1S/C7H8N4O2.C2H8N2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h3H,1-2H3,(H,8,9);1-4H2 |
InChIKey | LHRHXWBJUQKYEL-UHFFFAOYSA-N |
SMILES | O=C1N(C(=O)N(C)C2NC=NC1=2)C.C(N)CN |
LogP | -0.175 (est) |
CAS Datenbank | 317-34-0(CAS DataBase Reference) |
EPA chemische Informationen | 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, compd. with 1,2-ethanediamine (2:1) (317-34-0) |
Kennzeichnung gefährlicher | Xn,C |
R-Sätze: | 22-42/43-34-36/37/38-20/21/22 |
S-Sätze: | 45-36/37/39-26-23-36 |
RIDADR | UN 2811 6.1/PG 3 |
WGK Germany | 3 |
RTECS-Nr. | XH5600000 |
F | 10-23 |
TSCA | Yes |
HazardClass | 6.1(b) |
PackingGroup | III |
HS Code | 29339900 |
Giftige Stoffe Daten | 317-34-0(Hazardous Substances Data) |
Toxizität | LD50 orally in mice: 540 mg/kg (Thompson, Warren) |