L-Aspartic acid dibenzyl ester 4-toluenesulfonate
Catalog No: FT-0627614
CAS No: 2886-33-1
- Chemical Name: L-Aspartic acid dibenzyl ester 4-toluenesulfonate
- Molecular Formula: C25H27NO7S
- Molecular Weight: 485.6
- InChI Key: HLMUYZYLPUHSNV-NTISSMGPSA-N
- InChI: InChI=1S/C18H19NO4.C7H8O3S/c19-16(18(21)23-13-15-9-5-2-6-10-15)11-17(20)22-12-14-7-3-1-4-8-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,16H,11-13,19H2;2-5H,1H3,(H,8,9,10)/t16-;/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 |
| Product_Name: | L-Aspartic acid dibenzyl ester 4-toluenesulfonate |
|---|---|
| Bolling_Point: | 455.3ºC at 760 mmHg |
| Density: | N/A |
| MF: | C25H27NO7S |
| CAS: | 2886-33-1 |
| Melting_Point: | 157-160 °C(lit.) |
| Flash_Point: | N/A |
| FW: | 485.549 |
| MF: | C25H27NO7S |
|---|---|
| Bolling_Point: | 455.3ºC at 760 mmHg |
| Exact_Mass: | 485.150818 |
| More_Info: | ['1 . Appearance Unknow ', '2 . Density（g/mLat 25°C）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）157-160 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,075mmHg）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）9 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,211ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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'] |
| Melting_Point: | 157-160 °C(lit.) |
| PSA: | 141.37000 |
| Computational_Chemistry: | ['1 . XlogP ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 8 ', '4 . Rotatable Bond Count 10 ', '5 . Isotope Atom Count ', '6 . TPSA 133 ', '7 . Heavy Atom Count 34 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 580 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 1 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 2'] |
| Molecular_Structure: | ['. Molar refractive index 无可用 . Molar volume （ m', '3/mol ）无可用 . Parachor （ 902K ）无可用 表面张力（ dyne/cm ）无可用 . Dielectric constant （ F/m ）无可用 偶极距（ D ）无可用 . Polarizability （ 10 -24cm ', '3 ）无可用'] |
| FW: | 485.549 |
| LogP: | 5.21340 |
| Vapor_Pressure: | 1.78E-08mmHg at 25°C |
| WGK_Germany: | 3 |
|---|---|
| Personal_Protective_Equipment: | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
| Safety_Statements: | S22-S24/25 |
| RIDADR: | NONH for all modes of transport |
Related Products
3,4-Pyrrolidinediol, 2-[(4-methoxyphenyl)methyl]-, 3-acetate, (2S,3R,4R)-
(4S)-2-[[[(2R)-2-AMino-2-(4-hydroxyphenyl)acetyl]aMino]Methyl]-5,5-diMethyl-4-thiazolidinecarboxylic Acid (Mixture of DiastereoMers)