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Ethanamine, N-Ethyl-, Titanium(4+) Salt (4:1)
CAS: 4419-47-0 | C4H11NTi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4419-47-0
Molecular Formula:
C4H11NTi
Molecular Weight:
121.006 g/mol
Names and Synonyms:
Ethanamine, N-Ethyl-, Titanium(4+) Salt (4:1)
Diethylamine, titanium(4+) salt
Ethanamine, N-ethyl-, titanium(4+) salt (4:1)
Ethanamine, N-ethyl-, titanium(4+) salt
Titanium, tetrakis(diethylamino)-
Titanium tetrakis(diethylamine)
Tetrakis(diethylamino)titanium
Tetrakis(diethylamido)titanium
Titanium tetrakis(diethylamide)
Titanium(4+) diethylamide
TDEAT
Tetrakis(diethylamido)titanium(IV)
Titanium(IV) diethylamide
Identifiers:
SMILES:
CCNCC.[Ti]
InChI:
InChI=1S/C4H11N.Ti/c1-3-5-4-2;/h5H,3-4H2,1-2H3;
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 121.01 g/mol | Legacy Database |
| density | 0.94 g/cm³ | Legacy Database |
| cas-boiling-point | 133 °C @ Press: 1.2 Torr None | Legacy Database |
| cas-canonical-smile | [Ti].N(CC)CC None | Legacy Database |
| cas-density | 0.938 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C4H11N.Ti/c1-3-5-4-2;/h5H,3-4H2,1-2H3; None | Legacy Database |
| cas-inchi-key | InChIKey=QTSRPDBXDQAKSO-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Ethanamine, N-ethyl-, titanium(4+) salt (4:1) None | Legacy Database |
| LogP | 0.6133 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 121.006 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 121.03709565199999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 24.217699999999994 | RDKit |
