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Tyzor Te
CAS: 36673-16-2 | C18H42N2O8Ti
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
36673-16-2
Molecular Formula:
C18H42N2O8Ti
Molecular Mass:
462.41 g/mol
Names and Synonyms:
Tyzor Te
Titanium, bis[2-[bis(2-hydroxyethyl)amino-κN]ethanolato-κO]bis(2-propanolato)-
Titanium, bis[[2,2′,2′′-nitrilotris[ethanolato]](1-)-N,O]bis(2-propanolato)-
Titanium, diisopropoxybis(2,2′,2′′-nitrilotriethanolato)-
Ethanol, 2,2′,2′′-nitrilotri-, diester with diisopropyl titanate(IV)
2-Propanol, titanium complex
Ethanol, 2,2′,2′′-nitrilotris-, titanium complex
Bis[2-[bis(2-hydroxyethyl)amino-κN]ethanolato-κO]bis(2-propanolato)titanium
Bis[bis(2-hydroxyethyl)aminoethyl] diisopropyl titanate
Tyzor TE
Bis(triethanolamino)titanium diisopropoxide
Titanium diisopropylate di(triethanolamine)
Diisopropoxytitanium bis(triethanolamine)
Bis(triethanolamine) diisopropyl titanate
TEAT
AKT 845
NSC 5285
Titanium diisopropoxybis(triethanolaminate)
Titanium bis(isopropoxy) bis(triethanolamine)
Diisopropoxybis(triethanolaminato)titanium
Diisopropoxytitanium bis(triethanolaminate)
KH 803
SG-Ti 5105
Triethanolamine diisopropyl titanate
Tytan TET
Identifiers:
SMILES:
CC(C)[O-].CC(C)[O-].[O-]CCN(CCO)CCO.[O-]CCN(CCO)CCO.[Ti+4]
InChI:
InChI=1S/2C6H14NO3.2C3H7O.Ti/c2*8-4-1-7(2-5-9)3-6-10;2*1-3(2)4;/h2*8-9H,1-6H2;2*3H,1-2H3;/q4*-1;+4
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 | 462.41 g/mol | CAS Common Chemistry |
| 462.4070000000002 g/mol | RDKit | |
| 462.242062604 g/mol | RDKit | |
| Canonical SMILES | OCC[N]1(CCO)CC[O-][Ti+4]21([O-]CC[N]2(CCO)CCO)([O-]C(C)C)[O-]C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/2C6H14NO3.2C3H7O.Ti/c2*8-4-1-7(2-5-9)3-6-10;2*1-3(2)4;/h2*8-9H,1-6H2;2*3H,1-2H3;/q4*-1;+4 | CAS Common Chemistry |
| InChI Key | InChIKey=XAVMMNWPOYCFPU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tyzor TE | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 10 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 179.64 Ų | RDKit |
| LogP | -5.225699999999996 | RDKit |
| Molar Refractivity | 101.22920000000005 | RDKit |
