p-Toluenesulfonyl-L-phenylalanine chloromethyl ketone
Structural formula
| Business number | 048L |
|---|---|
| Molecular formula | C17H18ClNO3S |
| Molecular weight | 351.85 |
| label |
L-1,4′-methylsulfonyl-2-phenylethyl chloromethyl ketone, N-TOSYL-L-PHENYLALANINE CHLOROMETHYL KETONE, N-TOSYL-PHE-CHLOROMETHYLKETONE, N-TOSYLAMIDE PHENETHYL CHLOROMETHYLKETONE, N-ALPHA-TOSYL-PHE CHLOROMETHYL KETONE, N-ALPHA-P-TOSYL-L-PHENYLALANINE CHLOROMETHYIKETONE, (S)-1-CHLORO-3-TOSYLAMIDO-4-PHENYL-2-BUTANONE, (S) |
Numbering system
CAS number:329-30-6
MDL number:None
EINECS number:206-954-6
RTECS number:XT5613500
BRN number:None
PubChem ID:None
Physical property data
一 , physical property data
Traits ：Not available
Density (g/mL,25/4℃): Not available
Relative Vapor density (g/mL, air=1)：Not available
Melting point (ºC): 106-108
Boiling point (ºC, normal pressure):Not available
Boiling point (ºC, 5.2kPa): Not available
Refraction Rate: Not available
Flash Point (ºC): Not available
Optical rotation (º): Not available
Spontaneous combustion Point or ignition temperature (ºC): Not available
Steam Pressure (kPa, 25ºC): Not available
saturated Vapor pressure (kPa, 60ºC): Not available
Burn Heat (KJ/mol):Not available
Critical Temperature (ºC): Not available
Critical Pressure (KPa): Not available
oil and water Log value of the (octanol/water) partition coefficient:Not available
Explosion Upper limit (%, V/V): Not available
Explosion Lower limit (%, V/V): Not available
Solubility:Not available
Toxicological data
Two , Toxicological data:
Acute Toxicity:Not available .
Ecological data
Three , Ecological data:
1 , Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.
Molecular structure data
1. Molar refractive index: 92.00
2. Molar volume (m3/mol）：275.4
3. isotonic specific volume (90.2K):725.9
4. Surface Tension ( dyne/cm):48.2
5. Polarizability（10-24cm3): 36.47
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.6
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 7
5. Number of tautomers: 3
6. Topological molecule polar surface area 71.6
7. Number of heavy atoms: 23
8. Surface charge: 0
9. Complexity: 475
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 1
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
Store at -20℃.
Synthesis method
None
Purpose
None
