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Glycine Ethyl Ester Hydrochloride
CAS: 623-33-6 | C4H10ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
623-33-6
Molecular Formula:
C4H10ClNO2
Molecular Mass:
139.58 g/mol
Names and Synonyms:
Glycine Ethyl Ester Hydrochloride
Glycine, ethyl ester, hydrochloride (1:1)
Glycine, ethyl ester, hydrochloride
Ethyl glycinate hydrochloride
Glycine hydrochloride ethyl ester
Ethyl aminoacetate hydrochloride
Glycine ethyl ester monohydrochloride
Ethyl 2-aminoacetate hydrochloride
Glycine ethyl ester hydrochloride salt
Aminoacetic acid ethyl ester hydrochloride
281: PN: US20050107325 PAGE: 127 claimed protein
Glycine ethyl ether hydrochloride
279: PN: US20070105806 PAGE: 26 claimed protein
(2-Ethoxy-2-oxoethyl)ammonium chloride
27: PN: WO2010042547 PAGE: 47 claimed protein
L-Glycine ether ester hydrochloride
Glycine ethyl ester hydrochloride
2-Ethoxy-2-oxoethan-1-aminium chloride
Identifiers:
SMILES:
CCOC(=O)CN.Cl
InChI:
InChI=1S/C4H9NO2.ClH/c1-2-7-4(6)3-5;/h2-3,5H2,1H3;1H
Key Properties
Melting Point
145.2 °C
CAS Common Chemistry
Density
1.37 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 139.58 g/mol | CAS Common Chemistry |
| 139.58200000000002 g/mol | RDKit | |
| 139.04000624 g/mol | RDKit | |
| Density | 1.37 g/cm³ | CAS Common Chemistry |
| 1.371 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | Cl.O=C(OCC)CN | CAS Common Chemistry |
| InChI | InChI=1S/C4H9NO2.ClH/c1-2-7-4(6)3-5;/h2-3,5H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=TXTWXQXDMWILOF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 145.2 °C | CAS Common Chemistry |
| Name | Glycine ethyl ester hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.32 Ų | RDKit |
| LogP | -0.0699999999999999 | RDKit |
| Molar Refractivity | 32.935399999999994 | RDKit |
