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Lithium Acetylide-Ethylenediamine Complex
CAS: 6867-30-7 | C4H9LiN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6867-30-7
Molecular Formula:
C4H9LiN2
Molecular Mass:
92.07 g/mol
Names and Synonyms:
Lithium Acetylide-Ethylenediamine Complex
Lithium, (1,2-ethanediamine-κN1,κN2)ethynyl-
Ethylenediamine, compd. with lithium acetylide (Li(HC2)) (1:1)
Lithium, (1,2-ethanediamine-N,N′)ethynyl-
Lithium, (1,2-ethanediamine-κN,κN′)ethynyl-
Lithium acetylide (Li(HC2)), compd. with ethylenediamine (1:1)
(1,2-Ethanediamine-κN1,κN2)ethynyllithium
Ethynyllithium complex with 1,2-ethanediamine (1:1)
(1,2-Ethanediamine-N,N′)ethynyllithium
Ethylenediamine compd. with Li acetylide
Lithium acetylide-ethylenediamine (1:1)
(Acetylido)(ethylenediamine)lithium
(1,2-Diaminoethane)(ethynyl)lithium
Lithium acetylide-ethylenediamine complex
Ethynyl lithium-ethylene diamine complex
Identifiers:
SMILES:
NCCN.[C-]#C.[Li+]
InChI:
InChI=1S/C2H8N2.C2H.Li/c3-1-2-4;1-2;/h1-4H2;1H;/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 | 92.07 g/mol | CAS Common Chemistry |
| 92.07099999999998 g/mol | RDKit | |
| 92.092577838 g/mol | RDKit | |
| Canonical SMILES | C#[C-][Li+]1[NH2]CC[NH2]1 | CAS Common Chemistry |
| InChI | InChI=1S/C2H8N2.C2H.Li/c3-1-2-4;1-2;/h1-4H2;1H;/q;-1;+1 | CAS Common Chemistry |
| InChI Key | InChIKey=WMWSRIHFAVOHSW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Lithium acetylide-ethylenediamine complex | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | -3.8862099999999993 | RDKit |
| Molar Refractivity | 26.2968 | RDKit |
