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Molecule
Ethanamine, N-Ethyl-, Titanium(4+) Salt (4:1)
CAS: 4419-47-0 · C4H11NTi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4419-47-0
- Molecular Formula
- C4H11NTi
- Molecular Mass
- 121.01 g/mol
Identifiers
CAS Registry Number
4419-47-0
SMILES
CCNCC.[Ti]
InChI Key
QTSRPDBXDQAKSO-UHFFFAOYSA-N
InChI
InChI=1S/C4H11N.Ti/c1-3-5-4-2;/h5H,3-4H2,1-2H3;
Names and Synonyms
- Ethanamine, N-Ethyl-, Titanium(4+) Salt (4:1) Synonym
- Diethylamine, titanium(4+) salt Synonym
- Ethanamine, N-ethyl-, titanium(4+) salt (4:1) Synonym
- Ethanamine, N-ethyl-, titanium(4+) salt Synonym
- Titanium, tetrakis(diethylamino)- Synonym
- Titanium tetrakis(diethylamine) Synonym
- Tetrakis(diethylamino)titanium Synonym
- Tetrakis(diethylamido)titanium Synonym
- Titanium tetrakis(diethylamide) Synonym
- Titanium(4+) diethylamide Synonym
- TDEAT Synonym
- Tetrakis(diethylamido)titanium(IV) Synonym
- Titanium(IV) diethylamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 121.01 g/mol | CAS Common Chemistry |
| 121.03709565199999 g/mol | RDKit | |
| 121.006 g/mol | RDKit | |
| 123.022 g/mol | chempirical lib | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.938 g/cm3 | 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 121.006 g/mol | RDKit |
| Boiling Point | 133 °C @ 1.2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 121.01 g/mol; density = 0.940 g/mL. Edit any field — others recompute live.
