COCAETHYLENE
Bezeichnung:COCAETHYLENE
CAS-Nr529-38-4
Englisch Name:COCAETHYLENE
CBNumberCB3705852
SummenformelC18H23NO4
Molgewicht317.38
MOL-Datei529-38-4.mol
COCAETHYLENE physikalisch-chemischer Eigenschaften
| Schmelzpunkt | 1090C |
| Siedepunkt | 408.8±45.0 °C(Predicted) |
| Dichte | 1.20±0.1 g/cm3(Predicted) |
| Flammpunkt | 2 °C |
| storage temp. | 2-8°C |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Ethanol (Slightly) |
| pka | 9.04±0.60(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Whitee to Off-White |
| InChI | InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15-,16+/m0/s1 |
| InChIKey | NMPOSNRHZIWLLL-XUWVNRHRSA-N |
| SMILES | [C@@]12([H])N(C)[C@@]([H])(CC1)C[C@H](OC(=O)C1=CC=CC=C1)[C@@H]2C(OCC)=O |
| EPA chemische Informationen | 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, ethyl ester, (1R,2R,3S,5S)- (529-38-4) |
| Kennzeichnung gefährlicher | T,Xn,F |
| R-Sätze: | 25-36-20/21/22-11 |
| S-Sätze: | 45-36/37-16-26 |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS-Nr. | CL5602980 |
