N-Phenylglycine N-Phenylglycine

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:103-01-5

MDL number:MFCD00014009

EINECS number:203-070-2

RTECS number:None

BRN number:509838

PubChem number:24859860

Physical property data

1. Properties: white or light yellow crystal.

2. Density (g/mL, 25℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 121-123

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, mmHg): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

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10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (mmHg, 20ºC): Not determined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) distribution coefficient: Undetermined

17. Explosion upper limit (%, V /V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: soluble in water, slightly soluble in alcohol, slightly soluble In ether. Forms water-soluble salts in sodium hydroxide base.

Toxicological data

None yet

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

, Molar refractive index: 42.05

2, Molar volume (cm³/mol): 120.0

3, Isotonic specific volume (90.2K): 327.7

4. Surface tension (dyne/cm): 55.6

5. Dielectric constant:

6. Dipole moment (10^-24cm ³):

7. Polarizability: 16.67

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: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 49.3

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 130

10. Number of isotope atoms: 0

11. Determined number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13.Determined number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with strong oxidizing agents.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

Mix 40% formaldehyde solution, sodium cyanide aqueous solution and aniline, then add ethanol to make a uniform solution. When this solution is heated, it reacts violently with the production of ammonia gas. When the reaction solution no longer produces ammonia gas, the ethanol is distilled off and the precipitate is precipitated with acid. Filter and recrystallize with dilute ethanol to obtain pure N-anilinoacetic acid.

Purpose

Used for colorimetric determination of copper, intermediates for manufacturing indigo, and also used in biochemical research.