L-Alanine benzyl ester 4-toluenesulfonate
Catalog No: FT-0627656
CAS No: 42854-62-6
- Chemical Name: L-Alanine benzyl ester 4-toluenesulfonate
- Molecular Formula: C17H21NO5S
- Molecular Weight: 351.4
- InChI Key: NWOPHJSSBMABBD-QRPNPIFTSA-N
- InChI: InChI=1S/C10H13NO2.C7H8O3S/c1-8(11)10(12)13-7-9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,8H,7,11H2,1H3;2-5H,1H3,(H,8,9,10)/t8-;/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: | H-Ala-OBzl.TosOH |
|---|---|
| Bolling_Point: | 256.5ºC at 760mmHg |
| Density: | N/A |
| MF: | C17H21NO5S |
| CAS: | 42854-62-6 |
| Melting_Point: | 112-116 °C |
| Flash_Point: | 119.6ºC |
| FW: | 351.417 |
| MF: | C17H21NO5S |
|---|---|
| Bolling_Point: | 256.5ºC at 760mmHg |
| Exact_Mass: | 351.114044 |
| More_Info: | ['1 . Appearance Solid ', '2 . Density（g/mL,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1） Unknow ', '4 . Melting point（ºC）114-116 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，17mm hg）Unknow ', '7 . Refractive index-50 ° (C=3, MeOH) ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（ºC）-5 º (c=3% in methanol) ', '10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '11 . Vapor pressure（kPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）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'] |
| Melting_Point: | 112-116 °C |
| PSA: | 115.07000 |
| Flash_Point: | 119.6ºC |
| Refractive_Index: | -5.0 ° (C=3, MeOH) |
| Computational_Chemistry: | ['1 . XlogP 未确定 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 6 ', '4 . Rotatable Bond Count 5 ', '5 . Isotope Atom Count 351 ', '6 . TPSA 107 ', '7 . Heavy Atom Count 24 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 371 ', '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'] |
| FW: | 351.417 |
| LogP: | 4.09980 |
| WGK_Germany: | 3 |
|---|---|
| Personal_Protective_Equipment: | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
| Safety_Statements: | S22-S24/25 |
| HS_Code: | 2922499990 |
| RIDADR: | NONH for all modes of transport |
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