Octahydro-1H-indole-2-carboxylic acid
Bezeichnung:Octahydro-1H-indole-2-carboxylic acid
CAS-Nr80828-13-3
Englisch Name:Octahydro-1H-indole-2-carboxylic acid
CBNumberCB9257999
SummenformelC9H15NO2
Molgewicht169.22
MOL-Datei80828-13-3.mol
Octahydro-1H-indole-2-carboxylic acid physikalisch-chemischer Eigenschaften
| Schmelzpunkt | 233-234 °C (decomp)(Solv: 1,4-dioxane (123-91-1); water (7732-18-5)) |
| Siedepunkt | 318.6±25.0 °C(Predicted) |
| Dichte | 1.135±0.06 g/cm3(Predicted) |
| storage temp. | -15°C |
| Löslichkeit | Methanol (Slightly), Water (Slightly) |
| Aggregatzustand | Solid |
| pka | 2.47±0.20(Predicted) |
| Farbe | White to Off-White |
| InChI | InChI=1/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7-,8-/s3 |
| InChIKey | CQYBNXGHMBNGCG-VTCOHLDGNA-N |
| SMILES | N1[C@@]2([H])[C@]([H])(CCCC2)C[C@@H]1C(O)=O |&1:1,3,10,r| |
| CAS Datenbank | 80828-13-3(CAS DataBase Reference) |
