CAS No.459-73-4,ethyl glycinate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	459-73-4
Name:	ethyl glycinate
Article Data:	129

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 %.

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 %.

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