physical property
Announce 1. Character: white crystal.
2. Relative vapor density (g/mL, air=1): not determined
3. Refractive index: undetermined
4. Specific rotation (º, C=1, in ethanol):+24
5. Autoignition point or ignition temperature (º C): undetermined
6. Vapor pressure (kPa, 25 º C): undetermined
7、 Saturated vapor pressure (kPa, 60 º C): Not determined 8. Combustion heat (KJ/mol): undetermined
9. Critical temperature (º C): undetermined
10. Critical pressure (KPa): undetermined
11. Logarithmic value of oil-water (octanol/water) partition coefficient: undetermined
12. Upper explosive limit (%, V/V): undetermined
13. Lower explosive limit (%, V/V): undetermined
chemical property
Announce Remove from acetic acid molecule hydroxyl The remaining univalent group, Structural Is: CH three CO - is a common acyl group. Calculate chemical data:
1. Reference value for drainage parameter calculation (XlogP): 0.7
2、 hydrogen bond Number of donors: 2 3. Number of hydrogen bond receptors: 4
4. Number of rotatable chemical bonds: 6
6. Topological molecule Polar surface area (TPSA):75.6 7. Number of heavy atoms: 18
8. Surface charge: 0
9. Complexity: 285
10、 Isotope atom Quantity: 0 11. Determine the number of atomic structure centers: 1
12. Number of uncertain atomic structure centers: 0
13. Determine the number of chemical bond structure centers: 0
14. Number of uncertain chemical bond structure centers: 0
15、 covalent bond Number of units: 1 Store in a dry and sealed place at 2-8 ° C away from light. [1]
Biochemical research. determination Chymotrypsin Substrate. [2]