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Dimethylzinc
CAS: 544-97-8 | C2H6Zn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
544-97-8
Molecular Formula:
C2H6Zn
Molecular Weight:
95.46000000000001 g/mol
Names and Synonyms:
Dimethylzinc
Common Name
Dimethylzinc
Synonym
Zinc, dimethyl-
Synonym
Identifiers:
SMILES:
[CH3].[CH3].[Zn]
InChI:
InChI=1S/2CH3.Zn/h2*1H3;
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 95.46 g/mol | Legacy Database |
| density | 1.39 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Dimethylzinc None | Legacy Database |
| cas-boiling-point | 46 °C None | Legacy Database |
| cas-canonical-smile | [Zn](C)C None | Legacy Database |
| cas-density | 1.386 g/cm3 @ Temp: 10.5 °C None | Legacy Database |
| cas-inchi | InChI=1S/2CH3.Zn/h2*1H3; None | Legacy Database |
| cas-inchi-key | InChIKey=AXAZMDOAUQTMOW-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -40 °C None | Legacy Database |
| cas-name | Dimethylzinc None | Legacy Database |
| wikipedia-name | Dimethylzinc None | Legacy Database |
| LogP | 0.89808 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 95.46000000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 93.976092392 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 12.828000000000001 | RDKit |