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Molecule
Lithium Triethylborohydride
CAS: 22560-16-3 · C6H16BLi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 22560-16-3
- Molecular Formula
- C6H16BLi
- Molecular Mass
- 105.95 g/mol
Identifiers
CAS Registry Number
22560-16-3
SMILES
CC[BH-](CC)CC.[Li+]
InChI Key
WCJAYABJWDIZAJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H16B.Li/c1-4-7(5-2)6-3;/h7H,4-6H2,1-3H3;/q-1;+1
Names and Synonyms
- Lithium Triethylborohydride Common Name
- Borate(1-), triethylhydro-, lithium (1:1), (T-4)- Synonym
- Borate(1-), triethylhydro-, lithium Synonym
- Borate(1-), triethylhydro-, lithium, (T-4)- Synonym
- Lithium triethylborohydride Synonym
- Lithium triethylhydroborate Synonym
- Lithium triethylhydridoborate Synonym
- Superhydride Synonym
- Lithium triethylhydroborate(1-) Synonym
- Lithium triethylhydridoborate(1-) Synonym
- Super-H Synonym
- Lithium hydrotriethylborate(1-) Synonym
- Lithium triethylborohydride(1-) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 105.95 g/mol | CAS Common Chemistry |
| 106.150510462 g/mol | RDKit | |
| 105.947 g/mol | RDKit | |
| 107.961 g/mol | chempirical lib | |
| 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 |
| -0.7228 | RDKit | |
| Molar Refractivity | 38.592000000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 105.947 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
External Resources
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MW = 105.95 g/mol. Edit any field — others recompute live.
