Structural formula
Business number | 01DY |
---|---|
Molecular formula | C7H13NO3S |
Molecular weight | 191.25 |
label |
N-acetyl L-methionine, CH3SCH2CH2CH(NHCOCH3)CO2H |
Numbering system
CAS number:65-82-7
MDL number:MFCD00064441
EINECS number:200-617-7
RTECS number:PD0480000
BRN number:1725552
PubChem number:24845156
Physical property data
1. Character:Colorless or glossy white crystals or white powder. Odorless or nearly odorless
2. Density (g/mL,25/4℃): Unsure
3. Relative vapor density (g/mL,AIR=1): Unsure
4. Melting point (ºC):103 -106
5. Boiling point (ºC,Normal pressure): Uncertain
6. Boiling point (ºC, 5.2kPa): Unsure
7. Refractive index:-21 ° (C=1, H2O)
8. Flash point (ºC): Unsure
9. Specific optical rotation (º):-20 º (c=4 H2O)
10. Autoignition point or ignition temperature (ºC): Unsure
11. Vapor pressure (kPa,25ºC): Unsure
12. 17. Explosion upper limit (%,V/V): Unsure
18. Lower explosion limit (%,V/V): Unsure
19. Solubility:Soluble in water, ethanol, alkaline solution and dilute inorganic acid, almost insoluble in ether
Toxicological data
Acute toxicity: Mouse intravenous LD50: 435 mg/kg;
Ecological data
None yet
Molecular structure data
1. Molar refractive index:47.62
2. Molar volume (m3/mol):158.9
3. isotonic specific volume (90.2K):413.5
4. Surface Tension (dyne/cm):45.7
5. Polarizability(10-24cm3):18.87
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 5
5. Number of tautomers: 2
6. Topological molecule polar surface area 91.7
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 172
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 1
12. Uncertain number of atomic stereocenters: 0
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 yet
Storage method
ByL-Methionine is acetylated with excess acetic acid or acetic anhydride .
Synthesis method
None yet
Purpose
Nutritional supplements.
” align=left> 3. Isotonic specific volume (90.2K):413.5
4. Surface Tension (dyne/cm):45.7
5. Polarizability(10-24cm3):18.87
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 5
5. Number of tautomers: 2
6. Topological molecule polar surface area 91.7
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 172
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 1
12. Uncertain number of atomic stereocenters: 0
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 yet
Storage method
ByL-Methionine is acetylated with excess acetic acid or acetic anhydride .
Synthesis method
None yet
Purpose
Nutritional supplements.