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Molecule
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
Identifiers
CAS Registry Number
623-33-6
SMILES
CCOC(=O)CN.Cl
InChI Key
TXTWXQXDMWILOF-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO2.ClH/c1-2-7-4(6)3-5;/h2-3,5H2,1H3;1H
Names and Synonyms
- Glycine Ethyl Ester Hydrochloride Synonym
- Glycine, ethyl ester, hydrochloride (1:1) Synonym
- Glycine, ethyl ester, hydrochloride Synonym
- Ethyl glycinate hydrochloride Synonym
- Glycine hydrochloride ethyl ester Synonym
- Ethyl aminoacetate hydrochloride Synonym
- Glycine ethyl ester monohydrochloride Synonym
- Ethyl 2-aminoacetate hydrochloride Synonym
- Glycine ethyl ester hydrochloride salt Synonym
- Aminoacetic acid ethyl ester hydrochloride Synonym
- 281: PN: US20050107325 PAGE: 127 claimed protein Synonym
- Glycine ethyl ether hydrochloride Synonym
- 279: PN: US20070105806 PAGE: 26 claimed protein Synonym
- (2-Ethoxy-2-oxoethyl)ammonium chloride Synonym
- 27: PN: WO2010042547 PAGE: 47 claimed protein Synonym
- L-Glycine ether ester hydrochloride Synonym
- Glycine ethyl ester hydrochloride Synonym
- 2-Ethoxy-2-oxoethan-1-aminium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 139.58 g/mol | CAS Common Chemistry |
| 139.58200000000002 g/mol | RDKit | |
| 139.582 g/mol | RDKit | |
| 139.579 g/mol | chempirical lib | |
| 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 |
| -0.07 | RDKit | |
| Molar Refractivity | 32.935399999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 139.04000624 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 139.58 g/mol; density = 1.370 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H10ClNO2.
