DL-Valine
Structural formula
| Business number | 05BM |
|---|---|
| Molecular formula | C5H11NO2 |
| Molecular weight | 117.15 |
| label |
DL-Valine, DL-2-amino-3-methylbutyric acid, DL-2-Amino-3-methylbutyric acid, (+/-)-alpha-Aminoisovaleric acid, Val, (CH3)2CHCH(NH2)COOH |
Numbering system
CAS number:516-06-3
MDL number:MFCD00004267
EINECS number:208-220-0
RTECS number:None
BRN number:506689
PubChem number:24890032
Physical property data
1. Character:White crystal or crystalline powder
2. Density (g/ cm3,25/4℃):1.31
3. Relative vapor density (g/cm3,AIR=1): Not OK
4. Melting point (ºC):295
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,8kPa): Undetermined
7. Refractive Index: Undetermined
8. Flash Point (ºC): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa,60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of partition coefficient (water): undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility:Soluble in water
Toxicological data
None
Ecological data
This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
1, Moore Refractive index: 30.23
2、 Molar volume（m3/mol)：110.1
3、 Isotonic specific volume (90.2K):276.6
4、 Surface tension(dyne/cm）：39.8
5、 Polarizability(10-24cm3）：11.98
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: 3
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 63.3
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 90.4
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
Use and store according to specifications, no decomposition will occur, and avoid contact with oxides
Storage method
Stored in a cool, dry, well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from acids and food chemicals, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.
Synthesis method
Mix ammonium chloride, potassium cyanide and concentrated ammonia, add freshly steamed isobutyraldehyde under stirring to react, extract the reactants with ether, acidify with hydrochloric acid, treat with activated carbon, reflux with ethanol, and add pyridine DL-valine is precipitated and washed with ethanol to obtain the product.
Purpose
Can be used for the synthesis of nutrients and drugs
Used for biochemical experiments��et alfor biochemical research.
