The N-(2-Hydroxyethyl)acetamide, with the CAS registry number 142-26-7, is also known as N-Acetylethanolamine. It belongs to the classification code of Skin / Eye Irritant. Its EINECS registry number is 205-530-8. This chemical's molecular formula is C4H9NO2 and molecular weight is 103.12. What's more, its IUPAC name is the same with its product name. This chemical can be prepared by ethanolamine with methyl acetate. It is mainly used in dye and pharmaceutical synthesis.
Physical properties about N-(2-Hydroxyethyl)acetamide are: (1)ACD/LogP: -1.336; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.34; (4)ACD/LogD (pH 7.4): -1.34; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 4.47; (8)ACD/KOC (pH 7.4): 4.47; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.33 Å2; (13)Index of Refraction: 1.438; (14)Molar Refractivity: 25.74 cm3; (15)Molar Volume: 98.004 cm3; (16)Polarizability: 10.204×10-24cm3; (17)Surface Tension: 36.596 dyne/cm; (18)Density: 1.052 g/cm3; (19)Flash Point: 151.037 °C; (20)Enthalpy of Vaporization: 61.601 kJ/mol; (21)Boiling Point: 291.471 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
Preparation of N-(2-Hydroxyethyl)acetamide: this chemical can be prepared by acetic acid anhydride with 2-amino-ethanol. This reaction needs reagent NaOH and solvents propan-2-ol, H2O at ambient temperature. The reaction time is 30 min. The yield is 74 %.
Uses of N-(2-Hydroxyethyl)acetamide: it is used to produce other chemicals. For example, it can react with carbon monoxide to get 3-acetyl-oxazolidin-2-one. This reaction needs reagents PdCl2, NaOAc and solvents 1,2-dimethoxy-ethane at ambient temperature. The reaction pressure is 2280.0002 Pa. The yield is 91 %.
When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes and it has serious damage to eyes. It is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NCCO)C
(2) InChI: InChI=1S/C4H9NO2/c1-4(7)5-2-3-6/h6H,2-3H2,1H3,(H,5,7)
(3) InChIKey: PVCJKHHOXFKFRP-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
rabbit | LD50 | skin | > 20mL/kg (20mL/kg) | | Union Carbide Data Sheet. Vol. 4/21/1967, |
rat | LD50 | oral | 26950mg/kg (26950mg/kg) | | Journal of the American College of Toxicology. Vol. 12(3), Pg. 225, 1993. |