L-1,2,3,4-Tetrahydronorharman-3-carboxylic acid
Bezeichnung:L-1,2,3,4-Tetrahydronorharman-3-carboxylic acid
CAS-Nr42438-90-4
Englisch Name:L-1,2,3,4-Tetrahydronorharman-3-carboxylic acid
CBNumberCB1395455
SummenformelC12H12N2O2
Molgewicht216.24
MOL-Datei42438-90-4.mol
L-1,2,3,4-Tetrahydronorharman-3-carboxylic acid physikalisch-chemischer Eigenschaften
| Schmelzpunkt | 289 °C (dec.)(lit.) |
| Siedepunkt | 485.0±45.0 °C(Predicted) |
| Dichte | 1.377±0.06 g/cm3(Predicted) |
| storage temp. | -20°C |
| Löslichkeit | soluble1.5mg/mL, clear (Solvent: 0.1N HCl:DMSO (1:1); warmed) |
| pka | 2.28±0.20(Predicted) |
| Aggregatzustand | powder |
| Farbe | white to beige |
| Optische Rotation | [α]/D -57 to -67°, c = 1 (in MeOH:1N HCl (1:1)) |
| InChI | 1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)/t10-/m0/s1 |
| InChIKey | FSNCEEGOMTYXKY-JTQLQIEISA-N |
| SMILES | O=C(O)[C@H]1NCC2=C(C3=C(N2)C=CC=C3)C1 |
| CAS Datenbank | 42438-90-4(CAS DataBase Reference) |
| Kennzeichnung gefährlicher | Xi |
| R-Sätze: | 36/37/38 |
| S-Sätze: | 26-36 |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| Speicherklasse | 11 - Combustible Solids |
