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Titanium Tetrapropoxide
CAS: 3087-37-4 | C3H8OTi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3087-37-4
Molecular Formula:
C3H8OTi
Molecular Weight:
107.963 g/mol
Names and Synonyms:
Titanium Tetrapropoxide
1-Propanol, titanium(4+) salt (4:1)
Propyl alcohol, titanium(4+) salt
1-Propanol, titanium(4+) salt
Propyl titanate(IV) (Ti(OPr)4)
Titanium, tetrapropoxy-
Titanium propoxide (Ti(OPr)4)
Tetrapropyl titanate
Titanium tetrapropoxide
Titanium tetrapropylate
Tetrapropoxytitanium
Tetra-n-propyl titanate
Tetrapropyl orthotitanate
Titanium tetrapropoxide (Ti(OPr)4)
Titanium(4+) propoxide
Tetrakis(propoxy)titanium
Titanium propylate
Propyl titanate
Titanium(IV) propoxide
Titanium tetrakis(1-propoxide)
Tetrapropoxy titanate
Tyzor NPT
Titanium tetra-n-propylate
Identifiers:
SMILES:
CCCO.[Ti]
InChI:
InChI=1S/C3H8O.Ti/c1-2-3-4;/h4H,2-3H2,1H3;
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 | 107.96 g/mol | Legacy Database |
| cas-canonical-smile | [Ti].OCCC None | Legacy Database |
| cas-inchi | InChI=1S/C3H8O.Ti/c1-2-3-4;/h4H,2-3H2,1H3; None | Legacy Database |
| cas-inchi-key | InChIKey=LTRIWNVAMDZCFN-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Titanium tetrapropoxide None | Legacy Database |
| LogP | 0.38620000000000004 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 107.963 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 108.005461176 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.23 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 17.376800000000003 | RDKit |
