N-acetylethanolamine

N-acetyl ethanolamine structural formula

Structural formula

Business number 03UW
Molecular formula C4H9NO2
Molecular weight 103.12
label

N-(2-hydroxyethyl)-acetamide,

N-Acylethanolamine,

Hydroxyethylacetamide,

2-acetamidoethanol,

N-(2-Hydroxyethyl)acetamide,

2-Acetamidoethanol

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.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/27361

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