Pregnanetriol
Catalog No: FT-0674016
CAS No: 1098-45-9
- Chemical Name: Pregnanetriol
- Molecular Formula: C21H36O3
- Molecular Weight: 336.5
- InChI Key: SCPADBBISMMJAW-HWPIAJDMSA-N
- InChI: InChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13?,14-,15-,16-,17+,18+,19+,20+,21+/m1/s1
| Assay | Pack Size | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| FW: | 336.50900 |
|---|---|
| CAS: | 1098-45-9 |
| Melting_Point: | N/A |
| Bolling_Point: | 469.9ºC at 760 mmHg |
| MF: | C21H36O3 |
| Product_Name: | Pregnanetriol |
| Flash_Point: | 208.2ºC |
| Density: | 1.123 g/cm3 |
| FW: | 336.50900 |
|---|---|
| MF: | C21H36O3 |
| Refractive_Index: | 1.551 |
| Vapor_Pressure: | 8.35E-11mmHg at 25°C |
| Bolling_Point: | 469.9ºC at 760 mmHg |
| Exact_Mass: | 336.26600 |
| PSA: | 60.69000 |
| Computational_Chemistry: | ['1. XlogP :38 ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 607 ', '7. Heavy Atom Count :24 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :507 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :9 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| Molecular_Structure: | ['1 . Molar refractive index 9562 ', '2 . Molar volume 2996 ', '3 . Parachor （902K）7809 ', '4 . Surface tension 461 ', '5 . Polarizability 3790'] |
| LogP: | 3.50190 |
| Flash_Point: | 208.2ºC |
| Density: | 1.123 g/cm3 |
| Personal_Protective_Equipment: | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| RIDADR: | NONH for all modes of transport |
| Safety_Statements: | 22-24/25 |
