![tert-butyl (2S)-2-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate (CAS: 115186-37-3) - Chemical Structure and Molecular Formula](/static/img/prod_pic/FT-0773335.webp "tert-butyl (2S)-2-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate chemical structure")
tert-butyl (2S)-2-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate
Catalog No: FT-0773335
CAS No: 115186-37-3
- Chemical Name: tert-butyl (2S)-2-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate
- Molecular Formula: C12H22N2O4
- Molecular Weight: 258.31 g/mol
- InChI Key: KPVRHJIGNMLCHG-VIFPVBQESA-N
- InChI: InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-8-6-7-9(14)10(15)13(4)17-5/h9H,6-8H2,1-5H3/t9-/m0/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 |
| Bolling_Point: | 326.2±52.0 °C at 760 mmHg |
|---|---|
| CAS: | 115186-37-3 |
| MF: | C12H22N2O4 |
| Density: | 1.1±0.1 g/cm3 |
| Melting_Point: | N/A |
| Product_Name: | tert-butyl (2S)-2-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate |
| Flash_Point: | 151.1±30.7 °C |
| FW: | 258.314 |
| MF: | C12H22N2O4 |
|---|---|
| Density: | 1.1±0.1 g/cm3 |
| Computational_Chemistry: | ['1. XlogP :12 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 591 ', '7. Heavy Atom Count :18 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :325 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| More_Info: | ['1 . Appearance Unknow ', '2 . Density（g/mL,25ºC）1059 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC）253 ', '6 . Boiling point（ºC，19mmHg）Unknow ', '7 . Refractive indexn20/D 1471(lit) ', '8 . Flash point（°C）113 ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,110ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow'] |
| Exact_Mass: | 258.157959 |
| Vapor_Pressure: | 0.0±0.7 mmHg at 25°C |
| Flash_Point: | 151.1±30.7 °C |
| PSA: | 59.08000 |
| Molecular_Structure: | ['1. Molar refractive index 6613 ', '2. Molar volume 2283 ', '3. Parachor （902K）579 ', '4. Surface tension 413 ', '5. Dielectric constant N/A ', '6. Polarizability 2621 ', '7. Single isotope mass 258157957 Da ', '8. Nominal mass 258 Da ', '9. Average mass 2583141 Da'] |
| LogP: | 0.53 |
| Bolling_Point: | 326.2±52.0 °C at 760 mmHg |
| FW: | 258.314 |
| Refractive_Index: | 1.491 |
| HS_Code: | 2933990090 |
|---|---|
| RIDADR: | NONH for all modes of transport |
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