2-Aminoisobutyric acid 2-Aminoisobutyric acid
Structural formula
| Business number | 01CH |
|---|---|
| Molecular formula | C4H9NO2 |
| Molecular weight | 103.12 |
| label |
2-Methylalanine, alpha-methylalanine, α-Aminoisobutyric acid, 2-Aminoisobutyric acid, α-Aminoisobutyric acid, 2-Methylalanine, Aib, 2-Amin-o-2-methylpropionic acid, 2-Methylalanine, α-Methylalanine |
Numbering system
CAS number:62-57-7
MDL number:MFCD00008049
EINECS number:200-544-0
RTECS number:AY7000000
BRN number:506496
PubChem number:24888304
Physical property data
1. Properties: colorless monoclinic crystal. Sweet.
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC, closed tube): 335
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 5.2kPa) : Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific 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
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15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Easily soluble in water, slightly soluble In ethanol, insoluble in ether.
Toxicological data
Acute toxicity: rat intraperitoneal LD: >2500 mg/kg; mouse intraperitoneal LD50: 750 mg/kg
Ecological data
None yet
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 25.64
2. Molar volume (cm3/mol): 92.9
3. Isotonic specific volume (90.2K): 237.2
4. Surface tension (dyne/cm): 42.4
5. Polarizability (10-24cm3): 10.16
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): -2.8
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 3
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4. Number of rotatable chemical bonds: 1
5. Topological molecular polar surface area (TPSA): 63.3
6. Number of heavy atoms: 7
7. Surface charge: 0
8. Complexity: 87.7
9. Number of isotope atoms: 0
10. Determine the atomic stereocenter Number: 0
11. Number of uncertain atomic stereocenters: 0
12. Number of determined chemical bond stereocenters: 0
13. Uncertain chemical bonds Number of stereocenters: 0
14, Number of covalent bond units: 1
Properties and stability
1. When using, avoid inhaling the dust of this product and avoid contact with eyes and skin.
Storage method
Store sealed and dry.
Synthesis method
Dissolve acetone cyanohydrin in methanol, and pass ammonia through it under cooling until it is saturated. After the methanol was evaporated, water and hydrobromic acid were added, and the reaction was refluxed for 2 hours, and then the hydrobromic acid was evaporated under reduced pressure. Dissolve the residue in methanol, add pyridine until Congo red becomes neutral, and separate the free 2-aminoisobutyric acid with a yield of about 30%.
Purpose
Biochemical research.
