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
p>
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
p>
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.