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Lithium Triethylborohydride
CAS: 22560-16-3 | C6H16BLi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
22560-16-3
Molecular Formula:
C6H16BLi
Molecular Weight:
105.947 g/mol
Names and Synonyms:
Lithium Triethylborohydride
Lithium triethylborohydride(1-)
Lithium hydrotriethylborate(1-)
Super-H
Lithium triethylhydridoborate(1-)
Lithium triethylhydroborate(1-)
Superhydride
Lithium triethylhydridoborate
Lithium triethylhydroborate
Lithium triethylborohydride
Borate(1-), triethylhydro-, lithium, (T-4)-
Borate(1-), triethylhydro-, lithium
Borate(1-), triethylhydro-, lithium (1:1), (T-4)-
Identifiers:
SMILES:
CC[BH-](CC)CC.[Li+]
InChI:
InChI=1S/C6H16B.Li/c1-4-7(5-2)6-3;/h7H,4-6H2,1-3H3;/q-1;+1
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 |
|---|
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 | 105.95 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Lithium_triethylborohydride None | Legacy Database |
| cas-canonical-smile | [Li+].[H-][B+3]([CH2-]C)([CH2-]C)[CH2-]C None | Legacy Database |
| cas-inchi | InChI=1S/C6H16B.Li/c1-4-7(5-2)6-3;/h7H,4-6H2,1-3H3;/q-1;+1 None | Legacy Database |
| cas-inchi-key | InChIKey=WCJAYABJWDIZAJ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Lithium triethylborohydride None | Legacy Database |
| wikipedia-name | Lithium triethylborohydride None | Legacy Database |
| LogP | -0.7228000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 105.947 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 106.150510462 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 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 | 38.592000000000006 | RDKit |
