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Molecule
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 Mass
- 55.92 g/mol
Identifiers
CAS Registry Number
593-90-8
SMILES
CB(C)C
InChI Key
WXRGABKACDFXMG-UHFFFAOYSA-N
InChI
InChI=1S/C3H9B/c1-4(2)3/h1-3H3
Names and Synonyms
- Trimethylborane Synonym
- Borane, trimethyl- Synonym
- Trimethylborane Synonym
- Trimethylboron Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 55.92 g/mol | CAS Common Chemistry |
| 55.917 g/mol | RDKit | |
| 56.079730688000005 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Trimethylborane | CAS Common Chemistry |
| Boiling Point | -20.2 °C | CAS Common Chemistry |
| Canonical SMILES | B(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H9B/c1-4(2)3/h1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WXRGABKACDFXMG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -161.5 °C | CAS Common Chemistry |
| Name | Trimethylboron | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.3705999999999998 | RDKit |
| 1.3706 | RDKit | |
| Molar Refractivity | 23.34599999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 55.915 g/mol | chempirical lib |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 = 55.92 g/mol. Edit any field — others recompute live.
