N-ALPHA-BENZOYL-L-HISTIDINE
Catalog No: FT-0654158
CAS No: 5354-94-9
- Chemical Name: N-ALPHA-BENZOYL-L-HISTIDINE
- Molecular Formula: C13H13N3O3
- Molecular Weight: 259.26
- InChI Key: AUDPUFBIVWMAED-NSHDSACASA-N
- InChI: InChI=1S/C13H13N3O3/c17-12(9-4-2-1-3-5-9)16-11(13(18)19)6-10-7-14-8-15-10/h1-5,7-8,11H,6H2,(H,14,15)(H,16,17)(H,18,19)/t11-/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: | N-Benzoylhistidine |
|---|---|
| Flash_Point: | 354.3±30.1 °C |
| Melting_Point: | N/A |
| FW: | 259.261 |
| Density: | 1.4±0.1 g/cm3 |
| CAS: | 5354-94-9 |
| Bolling_Point: | 662.3±50.0 °C at 760 mmHg |
| MF: | C13H13N3O3 |
| Molecular_Structure: | ['分子性质数据 ', '1 . Molar refractive index 6767 ', '2 . Molar volume （m3/mol）1900 ', '3 . Parachor （902K）5450 ', '4 . Surface tension 676 ', '5 . Polarizability （10 -24cm 3）2682'] |
|---|---|
| LogP: | -0.04 |
| Flash_Point: | 354.3±30.1 °C |
| Refractive_Index: | 1.631 |
| FW: | 259.261 |
| Density: | 1.4±0.1 g/cm3 |
| Bolling_Point: | 662.3±50.0 °C at 760 mmHg |
| Computational_Chemistry: | ['1 . XlogP -14 ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 5 ', '4 . Rotatable Bond Count 5 ', '5 . Isotope Atom Count 4 ', '6 . TPSA 951 ', '7 . Heavy Atom Count 19 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 329 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1'] |
| PSA: | 95.08000 |
| MF: | C13H13N3O3 |
| More_Info: | ['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（℃）Unknow ', '9 . Specific rotation（º）-47 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）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'] |
| Vapor_Pressure: | 0.0±2.1 mmHg at 25°C |
| Exact_Mass: | 259.095703 |
| HS_Code: | 2933290090 |
|---|---|
| WGK_Germany: | 3 |
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