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Methyllithium
CAS: 917-54-4 | CH3Li
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
917-54-4
Molecular Formula:
CH3Li
Molecular Weight:
21.976 g/mol
Names and Synonyms:
Methyllithium
Synonym
Lithium, methyl-
Synonym
Methyllithium
Synonym
Lithium methide
Synonym
Identifiers:
SMILES:
[CH3].[Li]
InChI:
InChI=1S/CH3.Li/h1H3;
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
100
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40
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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 21.976 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 22.039479645999997 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 2 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 | 0.06948999999999994 | RDKit |
| molecular_mass | 21.98 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Methyllithium None | Legacy Database |
| cas-canonical-smile | [Li]C None | Legacy Database |
| cas-inchi | InChI=1S/CH3.Li/h1H3; None | Legacy Database |
| cas-inchi-key | InChIKey=DVSDBMFJEQPWNO-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 70-71 °C None | Legacy Database |
| cas-name | Methyllithium None | Legacy Database |
| wikipedia-name | Methyllithium None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 12.168000000000001 | RDKit |