Pyrimidifen
Catalog No: FT-0674237
CAS No: 105779-78-0
- Chemical Name: Pyrimidifen
- Molecular Formula: C20H28ClN3O2
- Molecular Weight: 377.9
- InChI Key: ITKAIUGKVKDENI-UHFFFAOYSA-N
- InChI: InChI=1S/C20H28ClN3O2/c1-5-17-19(21)20(24-13-23-17)22-10-12-26-18-8-7-16(9-11-25-6-2)14(3)15(18)4/h7-8,13H,5-6,9-12H2,1-4H3,(H,22,23,24)
| 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 |
| Symbol: | GHS06, GHS09 |
|---|---|
| CAS: | 105779-78-0 |
| Flash_Point: | 277.7±30.1 °C |
| Product_Name: | pyrimidifen |
| Bolling_Point: | 535.6±50.0 °C at 760 mmHg |
| FW: | 377.908 |
| Melting_Point: | N/A |
| MF: | C20H28ClN3O2 |
| Density: | 1.1±0.1 g/cm3 |
| Refractive_Index: | 1.566 |
|---|---|
| Vapor_Pressure: | 0.0±1.4 mmHg at 25°C |
| Flash_Point: | 277.7±30.1 °C |
| LogP: | 5.34 |
| Bolling_Point: | 535.6±50.0 °C at 760 mmHg |
| FW: | 377.908 |
| PSA: | 56.27000 |
| Computational_Chemistry: | ['1. XlogP :49 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :10 ', '5. Isotope Atom Count :5 ', '6. TPSA 563 ', '7. Heavy Atom Count :26 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :388 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| MF: | C20H28ClN3O2 |
| Exact_Mass: | 377.187012 |
| Molecular_Structure: | ['1. Molar refractive index 10758 ', '2. Molar volume 3297 ', '3. Parachor （902K）8498 ', '4. Surface tension 441 ', '5. Dielectric constant N/A ', '6. Polarizability 4264 ', '7. Single isotope mass 377187005 Da ', '8. Nominal mass 377 Da ', '9. Average mass 3779082 Da'] |
| Density: | 1.1±0.1 g/cm3 |
| Symbol: | GHS06, GHS09 |
|---|---|
| HS_Code: | 2933599015 |
| RIDADR: | UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all |
| Warning_Statement: | P273-P301 + P310-P501 |
| Safety_Statements: | H301-H410 |
Related Products
Ramelteon Metabolite M-II (mixture of R and S at the hydroxy position)
