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Lithium Diisopropylamide
CAS: 4111-54-0 | C6H15LiN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4111-54-0
Molecular Formula:
C6H15LiN
Molecular Weight:
108.13399999999999 g/mol
Names and Synonyms:
Lithium Diisopropylamide
N-(1-Methylethyl)-2-propanamine lithium salt
LDA (reagent)
Lithium diisopropylamine
LDA
Lithiodiisopropylamine
N-Lithiodiisopropylamide
Lithium diisopropylamide
(Diisopropylamino)lithium
Lithium, (diisopropylamino)-
2-Propanamine, N-(1-methylethyl)-, lithium salt
Diisopropylamine, lithium salt
2-Propanamine, N-(1-methylethyl)-, lithium salt (1:1)
Identifiers:
SMILES:
CC(C)NC(C)C.[Li]
InChI:
InChI=1S/C6H15N.Li/c1-5(2)7-6(3)4;/h5-7H,1-4H3;
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 108.13399999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 108.13645403 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 12.03 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.0119999999999998 | RDKit |
| molecular_mass | 108.13 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Lithium_diisopropylamide None | Legacy Database |
| cas-canonical-smile | [Li].N(C(C)C)C(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C6H15N.Li/c1-5(2)7-6(3)4;/h5-7H,1-4H3; None | Legacy Database |
| cas-inchi-key | InChIKey=OVEHNNQXLPJPPL-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Lithium diisopropylamide None | Legacy Database |
| wikipedia-name | Lithium diisopropylamide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 39.1617 | RDKit |
