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Molecule
L-Serine, Ethyl Ester, Hydrochloride (1:1)
CAS: 26348-61-8 · C5H12ClNO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 26348-61-8
- Molecular Formula
- C5H12ClNO3
- Molecular Mass
- 169.61 g/mol
Identifiers
CAS Registry Number
26348-61-8
SMILES
CCOC(=O)[C@@H](N)CO.Cl
InChI Key
JZJQCLZQSHLSFB-WCCKRBBISA-N
InChI
InChI=1S/C5H11NO3.ClH/c1-2-9-5(8)4(6)3-7;/h4,7H,2-3,6H2,1H3;1H/t4-;/m0./s1
Names and Synonyms
- L-Serine, Ethyl Ester, Hydrochloride (1:1) Synonym
- L-Serine, ethyl ester, hydrochloride (1:1) Synonym
- Serine, ethyl ester, hydrochloride, L- Synonym
- L-Serine, ethyl ester, hydrochloride Synonym
- Serine, ethyl ester, hydrochloride Synonym
- L-Seryl ethyl ester hydrochloride Synonym
- Ethyl L-serinate hydrochloride Synonym
- Ethyl serinate hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 169.61 g/mol | CAS Common Chemistry |
| 169.60800000000003 g/mol | RDKit | |
| 169.608 g/mol | RDKit | |
| 169.605 g/mol | chempirical lib | |
| 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 |
| -0.7091 | RDKit | |
| Molar Refractivity | 38.94219999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 169.050570924 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 169.61 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H12ClNO3.
