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Triethylborane
CAS: 97-94-9 | C6H15B
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
97-94-9
Molecular Formula:
C6H15B
Molecular Weight:
97.99799999999999 g/mol
Names and Synonyms:
Triethylborane
Triethylboron
Triethylborane
Borane, triethyl-
Identifiers:
SMILES:
CCB(CC)CC
InChI:
InChI=1S/C6H15B/c1-4-7(5-2)6-3/h4-6H2,1-3H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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 | 98.00 g/mol | Legacy Database |
| density | 0.70 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Triethylborane None | Legacy Database |
| cas-boiling-point | 95-96 °C None | Legacy Database |
| cas-canonical-smile | B(CC)(CC)CC None | Legacy Database |
| cas-density | 0.697 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H15B/c1-4-7(5-2)6-3/h4-6H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=LALRXNPLTWZJIJ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -92.9 °C None | Legacy Database |
| cas-name | Triethylborane None | Legacy Database |
| wikipedia-name | Triethylborane None | Legacy Database |
| LogP | 2.5409000000000006 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 97.99799999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 98.12668088 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 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 | 37.196999999999996 | RDKit |
