Back to Search
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 Mass:
105.95 g/mol
Names and Synonyms:
Lithium Triethylborohydride
Borate(1-), triethylhydro-, lithium (1:1), (T-4)-
Borate(1-), triethylhydro-, lithium
Borate(1-), triethylhydro-, lithium, (T-4)-
Lithium triethylborohydride
Lithium triethylhydroborate
Lithium triethylhydridoborate
Superhydride
Lithium triethylhydroborate(1-)
Lithium triethylhydridoborate(1-)
Super-H
Lithium hydrotriethylborate(1-)
Lithium triethylborohydride(1-)
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 105.95 g/mol | CAS Common Chemistry |
| 105.947 g/mol | RDKit | |
| 106.150510462 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lithium_triethylborohydride | CAS Common Chemistry |
| Canonical SMILES | [Li+].[H-][B+3]([CH2-]C)([CH2-]C)[CH2-]C | CAS Common Chemistry |
| InChI | InChI=1S/C6H16B.Li/c1-4-7(5-2)6-3;/h7H,4-6H2,1-3H3;/q-1;+1 | CAS Common Chemistry |
| InChI Key | InChIKey=WCJAYABJWDIZAJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Lithium triethylborohydride | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -0.7228000000000001 | RDKit |
| Molar Refractivity | 38.592000000000006 | RDKit |
