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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 Mass:
121.01 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;
Key Properties
Boiling Point
133 °C @ Press: 1.2 Torr
CAS Common Chemistry
Density
0.94 g/cm³
CAS Common Chemistry
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 | 121.01 g/mol | CAS Common Chemistry |
| 121.006 g/mol | RDKit | |
| 121.03709565199999 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.938 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 133 °C @ Press: 1.2 Torr | CAS Common Chemistry |
| Canonical SMILES | [Ti].N(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C4H11N.Ti/c1-3-5-4-2;/h5H,3-4H2,1-2H3; | CAS Common Chemistry |
| InChI Key | InChIKey=QTSRPDBXDQAKSO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethanamine, N-ethyl-, titanium(4+) salt (4:1) | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | 0.6133 | RDKit |
| Molar Refractivity | 24.217699999999994 | RDKit |
