| Melting point |
264 °C |
| alpha |
D25 +137.4° (c = 1 in pyridine) |
| Boiling point |
467.02°C (rough estimate) |
| Density |
1.1213 (rough estimate) |
| refractive index |
1.5614 (estimate) |
| storage temp. |
2-8°C |
| solubility |
DMSO: ≥17mg/mL |
| form |
powder |
| pka |
8.57±0.70(Predicted) |
| color |
white to tan |
| InChI |
1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1 |
| InChIKey |
KVJXBPDAXMEYOA-CXANFOAXSA-N |
| SMILES |
[C@@]123CC[C@@]4([H])[C@]5([H])CC[C@H](O)[C@@]5(C)CC[C@]4([H])[C@@]1(C)CC(C#N)=C(O)[C@@]2([H])O3 |&1:0,3,5,9,11,15,17,25,r| |
| CAS DataBase Reference |
13647-35-3(CAS DataBase Reference) |
| EPA Substance Registry System |
Trilostane (13647-35-3) |
