Structural formula
| Business number | 01FX |
|---|---|
| Molecular formula | C9H11NO3 |
| Molecular weight | 181.19 |
| label |
3-Phenylserine monohydrate, beta-hydroxy-3-phenyl-DL-alanine |
Numbering system
CAS number:69-96-5
MDL number:None
EINECS number:None
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Character: white or light gray crystal.
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 202~208℃ (decomposition)
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, normal pressure) 5.2kPa): Not determined
7. Refractive index: Not determined
8. Flash point (ºC): Not determined
9. Specific rotation ( º): Not determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (kPa, 25ºC): Not determined
12. Saturated vapor pressure (kPa, 60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined Determined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17 . Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Slightly soluble in water , difficult to dissolve in ethanol and ether.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 47.03
2. Molar volume (cm3/mol): 135.6
3. Isotonic specific volume (90.2K ): 387.2
4. Surface tension (dyne/cm): 66.3
5. Polarizability (10-24cm3): 18.64
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): -2.5
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 4
p>
4. Number of rotatable chemical bonds: 3
5. Topological molecular polar surface area (TPSA): 83.6
6. Number of heavy atoms: 13
7. Surface charge: 0
8. Complexity: 178
9. Number of isotope atoms: 0
10. Determine the atomic stereocenter Quantity: 0
11, The number of uncertain atomic stereocenters: 2
12. The number of determined chemical bond stereocenters: 0
13. The number of uncertain chemical bond stereocenters: 0
14. Number of covalent bond units: 1
Properties and stability
None
Storage method
This product should be kept sealed.
Synthesis method
None
Purpose
Biochemical research. Bacterial growth inhibitor.
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