![(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoic acid (CAS: 297773-45-6) - Chemical Structure and Molecular Formula](/static/img/prod_pic/FT-0771881.png "(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoic acid chemical structure")
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoic acid
Catalog No: FT-0771881
CAS No: 297773-45-6
- Chemical Name: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoic acid
- Molecular Formula: C13H18N2O4
- Molecular Weight: 266.29
- InChI Key: GQWRNLFTLLZYBJ-JTQLQIEISA-N
- InChI: InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15-10(7-11(16)17)9-5-4-6-14-8-9/h4-6,8,10H,7H2,1-3H3,(H,15,18)(H,16,17)/t10-/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: | 455ºC at 760 mmHg |
|---|---|
| CAS: | 297773-45-6 |
| MF: | C13H18N2O4 |
| Density: | 1.198g/cm3 |
| Melting_Point: | N/A |
| Product_Name: | (S)-Boc-3-(3-pyridyl)-β-Ala-OH |
| Flash_Point: | 229ºC |
| FW: | 266.29300 |
| MF: | C13H18N2O4 |
|---|---|
| Density: | 1.198g/cm3 |
| Computational_Chemistry: | ['1. XlogP :09 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :2 ', '6. TPSA 885 ', '7. Heavy Atom Count :19 ', '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 Solid ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）141 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，5mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,217ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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: | 266.12700 |
| Vapor_Pressure: | 4.52E-09mmHg at 25°C |
| Flash_Point: | 229ºC |
| PSA: | 88.52000 |
| Molecular_Structure: | ['1 . Molar refractive index 6859 ', '2 . Molar volume （m3/mol）2222 ', '3 . Parachor （902K）5849 ', '4 . Surface tension 480 ', '5 . Polarizability （10 -24cm 3）2719'] |
| LogP: | 2.51300 |
| Bolling_Point: | 455ºC at 760 mmHg |
| FW: | 266.29300 |
| Refractive_Index: | 1.529 |
| Personal_Protective_Equipment: | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| HS_Code: | 2933399090 |
| WGK_Germany: | 3 |
| RIDADR: | NONH for all modes of transport |
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