N-acetylethanolamine

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:142-26-7

MDL number:MFCD00002836

EINECS number:205-530-8

RTECS number:AC3120000

BRN number:None

PubChem ID:None

Physical property data

1. Properties: colorless viscous liquid.

2. Density (g/mL, 25/4℃): 1.1079

3. Relative density (g/mL, 20/4℃): 1.120

4. Melting point (ºC): Undetermined

5. Boiling point (ºC, normal pressure): 150-152

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index (n²⁰): 1.473

8. Flash point (ºC): 176

9. Ratio Optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

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

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

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: soluble In ethanol, ether and water.

Toxicological data

2. Toxicological data:

1. Acute toxicity: Rat oral LD50: 26950 mg/kg;

Rabbit transdermal LD50: >20 mL/kg.

Ecological data

3. Ecological data:

Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 25.73

2. Molar volume (cm³/mol): 98.0

3 , Isotonic specific volume (90.2K): 241.0

4. Surface tension (dyne/cm): 36.5

5. Polarizability (10^-24cm³): 10.20

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -1.1

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

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4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 2

6. Topological molecule polar surface area 49.3

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 62.7

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

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

1. Stable under normal temperature and pressure. Incompatible materials: strong oxidizing agents

2. Irritating.

Storage method

Stored sealed and protected from light.

Synthesis method

Reaction of ethanolamine with methyl acetate. This reaction was carried out in a water bath under reflux for 6 hours and then the finished product was collected by fractionation under reduced pressure.

Purpose

This product is used in dye synthesis and pharmaceuticals.