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Molecule
Lithium Diisopropylamide
CAS: 4111-54-0 · C6H15LiN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4111-54-0
- Molecular Formula
- C6H15LiN
- Molecular Mass
- 108.13399999999999 g/mol
Identifiers
CAS Registry Number
4111-54-0
SMILES
CC(C)NC(C)C.[Li]
InChI Key
OVEHNNQXLPJPPL-UHFFFAOYSA-N
InChI
InChI=1S/C6H15N.Li/c1-5(2)7-6(3)4;/h5-7H,1-4H3;
Names and Synonyms
- Lithium Diisopropylamide Common Name
- 2-Propanamine, N-(1-methylethyl)-, lithium salt (1:1) Synonym
- Diisopropylamine, lithium salt Synonym
- 2-Propanamine, N-(1-methylethyl)-, lithium salt Synonym
- Lithium, (diisopropylamino)- Synonym
- (Diisopropylamino)lithium Synonym
- Lithium diisopropylamide Synonym
- N-Lithiodiisopropylamide Synonym
- Lithiodiisopropylamine Synonym
- LDA Synonym
- Lithium diisopropylamine Synonym
- LDA (reagent) Synonym
- N-(1-Methylethyl)-2-propanamine lithium salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Lithium_diisopropylamide | CAS Common Chemistry |
| Canonical SMILES | [Li].N(C(C)C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H15N.Li/c1-5(2)7-6(3)4;/h5-7H,1-4H3; | CAS Common Chemistry |
| InChI Key | InChIKey=OVEHNNQXLPJPPL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Lithium diisopropylamide | CAS Common Chemistry |
| Molecular Mass | 108.13399999999999 g/mol | RDKit |
| 108.13645403 g/mol | RDKit | |
| 108.134 g/mol | RDKit | |
| 109.142 g/mol | chempirical lib | |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 1.0119999999999998 | RDKit |
| 1.012 | RDKit | |
| Molar Refractivity | 39.1617 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 108.13 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 108.13 g/mol. Edit any field — others recompute live.
