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| CAS No.: | 459-73-4 |
|---|---|
| Name: | ethyl glycinate |
| Article Data: | 129 |
| Molecular Structure: | |
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| Formula: | C4H9NO2 |
| Molecular Weight: | 103.121 |
| Synonyms: | (Ethoxycarbonyl)methylamine;Aminoacetic acid ethyl ester;Ethyl 2-aminoacetate;Ethyl aminoacetate;Ethylglycinate;Ethyl glycine; |
| EINECS: | 207-298-3 |
| Density: | 1.013 g/cm3 |
| Melting Point: | 95.5 °C |
| Boiling Point: | 109.5 °C at 760 mmHg |
| PSA: | 52.32000 |
| LogP: | 0.20850 |
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Specification
The Glycine, ethyl ester, with the CAS registry number of 459-73-4, is also known as Ethyl clycinate. Its EINECS registry number is 207-298-3. This chemical's molecular formula is C4H9NO2 and molecular weight is 103.11976. What's more, its systematic name is called Ethyl glycinate.
Physical properties about Glycine, ethyl ester are: (1)ACD/LogP: -0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.33; (4)ACD/LogD (pH 7.4): -0.69; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 6.67; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.422; (14)Molar Refractivity: 25.89 cm3; (15)Molar Volume: 101.7 cm3; (16)Surface Tension: 33.6 dyne/cm; (17)Density: 1.013 g/cm3; (18)Enthalpy of Vaporization: 34.82 kJ/mol; (19)Boiling Point: 109.5 °C at 760 mmHg; (20)Vapour Pressure: 24.7 mmHg at 25 °C.
Preparation: this chemical is prepared by C6H9NO4 at ambient temperature. The reaction needs reagent 5 % HCl. Meanwhile, it needs solvents Ethanol and H2O. The reaction time is 2 days. The yield is about 95 %.
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Uses: it is used to produce other chemicals. For example, it is used to produce 2-Amino-1, 1-dideuterio-ethanol. The reaction needs reagent LiAlD4. The yield is about 36 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)CN
(2) InChI: InChI=1/C4H9NO2/c1-2-7-4(6)3-5/h2-3,5H2,1H3
(3) InChIKey: NTNZTEQNFHNYBC-UHFFFAOYAR