Entacapone
Catalog No: FT-0631134
CAS No: 130929-57-6
- Chemical Name: Entacapone
- Molecular Formula: C14H15N3O5
- Molecular Weight: 305.29
- InChI Key: JRURYQJSLYLRLN-BJMVGYQFSA-N
- InChI: InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+
| 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 |
| Product_Name: | Entacapone |
|---|---|
| Flash_Point: | 272.3±30.1 °C |
| Melting_Point: | 162-1630C |
| FW: | 305.286 |
| Density: | 1.4±0.1 g/cm3 |
| CAS: | 130929-57-6 |
| Bolling_Point: | 526.6±50.0 °C at 760 mmHg |
| MF: | C14H15N3O5 |
| Molecular_Structure: | ['1 . Molar refractive index 7912 ', '2 . Molar volume 2192 ', '3 . Parachor （902K）6298 ', '4 . Surface tension 681 ', '5 . Polarizability 3136'] |
|---|---|
| LogP: | 2.38 |
| Flash_Point: | 272.3±30.1 °C |
| Refractive_Index: | 1.642 |
| FW: | 305.286 |
| Density: | 1.4±0.1 g/cm3 |
| Bolling_Point: | 526.6±50.0 °C at 760 mmHg |
| Computational_Chemistry: | ['1. XlogP :21 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :16 ', '6. TPSA 130 ', '7. Heavy Atom Count :22 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :500 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :1 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| Melting_Point: | 162-1630C |
| PSA: | 130.38000 |
| MF: | C14H15N3O5 |
| More_Info: | ['1. Appearance 结晶。 ', '2. Melting point162~163℃。'] |
| Vapor_Pressure: | 0.0±1.4 mmHg at 25°C |
| Exact_Mass: | 305.101166 |
| Hazard_Codes: | Xn,T,F |
|---|---|
| RTECS: | KM5250000 |
| Risk_Statements(EU): | R10:Flammable. R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . R37/38:Irritating to respiratory system and skin . R41:Risk of serious damage to eyes. R62:Possible risk of impaired fertility. R38:Irritating to the skin. R36/37/38:Ir |
| Packing_Group: | III |
| Hazard_Class: | 3 |
| RIDADR: | UN 1986 3/PG 3 |
| HS_Code: | 2942000000 |
| WGK_Germany: | 1 |
| Safety_Statements: | S26-S36-S39-S45-S36/37/39-S16 |
