2-Aminoisobutyric acid 2-Aminoisobutyric acid

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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.