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Molecule
Tyzor Te
CAS: 36673-16-2 · C18H42N2O8Ti
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 36673-16-2
- Molecular Formula
- C18H42N2O8Ti
- Molecular Mass
- 462.41 g/mol
Identifiers
CAS Registry Number
36673-16-2
SMILES
CC(C)[O-].CC(C)[O-].[O-]CCN(CCO)CCO.[O-]CCN(CCO)CCO.[Ti+4]
InChI Key
XAVMMNWPOYCFPU-UHFFFAOYSA-N
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
Names and Synonyms
- Tyzor Te Common Name
- Titanium, bis[2-[bis(2-hydroxyethyl)amino-κN]ethanolato-κO]bis(2-propanolato)- Synonym
- Titanium, bis[[2,2′,2′′-nitrilotris[ethanolato]](1-)-N,O]bis(2-propanolato)- Synonym
- Titanium, diisopropoxybis(2,2′,2′′-nitrilotriethanolato)- Synonym
- Ethanol, 2,2′,2′′-nitrilotri-, diester with diisopropyl titanate(IV) Synonym
- 2-Propanol, titanium complex Synonym
- Ethanol, 2,2′,2′′-nitrilotris-, titanium complex Synonym
- Bis[2-[bis(2-hydroxyethyl)amino-κN]ethanolato-κO]bis(2-propanolato)titanium Synonym
- Bis[bis(2-hydroxyethyl)aminoethyl] diisopropyl titanate Synonym
- Tyzor TE Synonym
- Bis(triethanolamino)titanium diisopropoxide Synonym
- Titanium diisopropylate di(triethanolamine) Synonym
- Diisopropoxytitanium bis(triethanolamine) Synonym
- Bis(triethanolamine) diisopropyl titanate Synonym
- TEAT Synonym
- AKT 845 Synonym
- NSC 5285 Synonym
- Titanium diisopropoxybis(triethanolaminate) Synonym
- Titanium bis(isopropoxy) bis(triethanolamine) Synonym
- Diisopropoxybis(triethanolaminato)titanium Synonym
- Diisopropoxytitanium bis(triethanolaminate) Synonym
- KH 803 Synonym
- SG-Ti 5105 Synonym
- Triethanolamine diisopropyl titanate Synonym
- Tytan TET Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 462.41 g/mol | CAS Common Chemistry |
| 462.4070000000002 g/mol | RDKit | |
| 462.407 g/mol | RDKit | |
| 468.455 g/mol | chempirical lib | |
| 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 |
| -5.2257 | RDKit | |
| Molar Refractivity | 101.22920000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 462.242062604 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
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MW = 462.41 g/mol. Edit any field — others recompute live.
