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Trimethylborane
CAS: 593-90-8 | C3H9B
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
593-90-8
Molecular Formula:
C3H9B
Molecular Weight:
55.917 g/mol
Names and Synonyms:
Trimethylborane
Synonym
Borane, trimethyl-
Synonym
Trimethylborane
Synonym
Trimethylboron
Synonym
Identifiers:
SMILES:
CB(C)C
InChI:
InChI=1S/C3H9B/c1-4(2)3/h1-3H3
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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120
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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 | 55.917 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 56.079730688000005 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 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 | 1.3705999999999998 | RDKit |
| molecular_mass | 55.92 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Trimethylborane None | Legacy Database |
| cas-boiling-point | -20.2 °C None | Legacy Database |
| cas-canonical-smile | B(C)(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C3H9B/c1-4(2)3/h1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=WXRGABKACDFXMG-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -161.5 °C None | Legacy Database |
| cas-name | Trimethylboron None | Legacy Database |
| wikipedia-name | Trimethylborane None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.34599999999999 | RDKit |