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L-Serine, Ethyl Ester, Hydrochloride (1:1)
CAS: 26348-61-8 | C5H12ClNO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
26348-61-8
Molecular Formula:
C5H12ClNO3
Molecular Mass:
169.61 g/mol
Names and Synonyms:
L-Serine, Ethyl Ester, Hydrochloride (1:1)
L-Serine, ethyl ester, hydrochloride (1:1)
Serine, ethyl ester, hydrochloride, L-
L-Serine, ethyl ester, hydrochloride
Serine, ethyl ester, hydrochloride
L-Seryl ethyl ester hydrochloride
Ethyl L-serinate hydrochloride
Ethyl serinate hydrochloride
Identifiers:
SMILES:
CCOC(=O)[C@@H](N)CO.Cl
InChI:
InChI=1S/C5H11NO3.ClH/c1-2-9-5(8)4(6)3-7;/h4,7H,2-3,6H2,1H3;1H/t4-;/m0./s1
Key Properties
Melting Point
130 °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 | 169.61 g/mol | CAS Common Chemistry |
| 169.60800000000003 g/mol | RDKit | |
| 169.050570924 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C(OCC)C(N)CO | CAS Common Chemistry |
| InChI | InChI=1S/C5H11NO3.ClH/c1-2-9-5(8)4(6)3-7;/h4,7H,2-3,6H2,1H3;1H/t4-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=JZJQCLZQSHLSFB-WCCKRBBISA-N | CAS Common Chemistry |
| Melting Point | 130 °C | CAS Common Chemistry |
| Name | L-Serine, ethyl ester, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 72.55 Ų | RDKit |
| LogP | -0.7090999999999998 | RDKit |
| Molar Refractivity | 38.94219999999999 | RDKit |
