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Ethyllithium
CAS: 811-49-4 | C2H5Li
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
811-49-4
Molecular Formula:
C2H5Li
Molecular Weight:
36.003 g/mol
Names and Synonyms:
Ethyllithium
Synonym
Lithium, ethyl-
Synonym
Ethyllithium
Synonym
Identifiers:
SMILES:
[CH2]C.[Li]
InChI:
InChI=1S/C2H5.Li/c1-2;/h1H2,2H3;
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| 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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 36.003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 36.055129709999996 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.45958999999999994 | RDKit |
| molecular_mass | 36.00 g/mol | Legacy Database |
| density | 0.88 g/cm³ | Legacy Database |
| cas-canonical-smile | [Li]CC None | Legacy Database |
| cas-density | 0.883 g/cm3 @ Temp: 13 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H5.Li/c1-2;/h1H2,2H3; None | Legacy Database |
| cas-inchi-key | InChIKey=BLHLJVCOVBYQQS-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 95 °C None | Legacy Database |
| cas-name | Ethyllithium None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 16.785 | RDKit |