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Sarcosine Ethyl Ester Hydrochloride
CAS: 52605-49-9 | C5H12ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
52605-49-9
Molecular Formula:
C5H12ClNO2
Molecular Mass:
153.61 g/mol
Names and Synonyms:
Sarcosine Ethyl Ester Hydrochloride
Glycine, N-methyl-, ethyl ester, hydrochloride (1:1)
Glycine, N-methyl-, ethyl ester, hydrochloride
Sarcosine ethyl ester hydrochloride
N-Methylglycine ethyl ester hydrochloride
2-Ethoxy-2-oxo-N-methylethylammonium chloride
Ethyl N-methylglycinate hydrochloride
Sacrosine ethyl ester hydrochloride
Ethyl sarcosinate hydrochloride
Ethyl N-methylaminoacetate hydrochloride
(Methylamino)acetic acid ethyl ester hydrochloride
N-[(Ethoxycarbonyl)methyl]-N-methylamine hydrochloride
2-(Methylamino)acetic acid ethyl ester hydrochloride
Identifiers:
SMILES:
CCOC(=O)CNC.Cl
InChI:
InChI=1S/C5H11NO2.ClH/c1-3-8-5(7)4-6-2;/h6H,3-4H2,1-2H3;1H
Key Properties
Melting Point
122-123 °C
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 | 153.61 g/mol | CAS Common Chemistry |
| 153.609 g/mol | RDKit | |
| 153.055656304 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C(OCC)CNC | CAS Common Chemistry |
| InChI | InChI=1S/C5H11NO2.ClH/c1-3-8-5(7)4-6-2;/h6H,3-4H2,1-2H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=NIDZUMSLERGAON-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 122-123 °C | CAS Common Chemistry |
| Name | Sarcosine ethyl ester hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.33 Ų | RDKit |
| LogP | 0.19069999999999998 | RDKit |
| Molar Refractivity | 37.807700000000004 | RDKit |
