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| CAS No.: | 81684-84-6 |
|---|---|
| Name: | MORPHOLIN-3-YL-ACETIC ACID ETHYL ESTER |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C8H15NO3 |
| Molecular Weight: | 173.21 |
| Synonyms: | Morpholin-3-ylaceticacid ethyl ester; |
| Density: | 1.033 g/cm3 |
| Boiling Point: | 244.38 °C at 760 mmHg |
| Flash Point: | 101.598 °C |
| PSA: | 47.56000 |
| LogP: | 0.25680 |
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Specification
The 3-Morpholineaceticacid, ethyl ester, with the CAS registry number 81684-84-6, is also known as Morpholin-3-yl-acetic acid ethyl ester. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C8H15NO3 and molecular weight is 173.21. What's more, both its IUPAC name and systematic name are the same which is called Ethyl 2-morpholin-3-ylacetate.
Physical properties about 3-Morpholineaceticacid, ethyl ester are: (1) ACD/LogP: -0.02; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 4; (4) #H bond donors: 1; (5) #Freely Rotating Bonds: 4; (6) Polar Surface Area: 47.56 Å2; (7) Index of Refraction: 1.435; (8) Molar Refractivity: 43.768 cm3; (9)Molar Volume: 167.598 cm3; (10) Surface Tension: 34.443 dyne/cm; (11) Density: 1.033 g/cm3; (12) Flash Point: 101.598 °C; (13) Enthalpy of Vaporization: 48.143 kJ/mol; (14) Boiling Point: 244.38 °C at 760 mmHg; (15) Vapour Pressure: 0.03 mmHg at 25 °C.
Preparation of : this chemical can be prepared by Malonic acid monoethyl ester with Dodecahydro-2,6,10-trioxa-4α,8α,12α-triaza-triphenylene.
This reaction needs reagent Triethylamine and solvent Acetonitrile at temperature of 55-60 °C. The reaction time is 5.5 hours. The yield is 51 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)CC1NCCOC1
(2) InChI: InChI=1/C8H15NO3/c1-2-12-8(10)5-7-6-11-4-3-9-7/h7,9H,2-6H2,1H3
(3) InChIKey: JEDBOPXFYYFSLI-UHFFFAOYAZ