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Molecular Structure of Titanium 2,2',2''-nitrilotrisethanolate (CAS NO.15879-01-3):
IUPAC Name: 2-[Bis(2-oxidoethyl)amino]ethanolate; titanium(4+); hydroxide
Molecular Formula: C6H13NO4Ti
Molecular Weight: 211.04
EINECS: 240-015-1
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 6
Exact Mass: 211.032405
MonoIsotopic Mass: 211.032405
Topological Polar Surface Area: 73.4
Heavy Atom Count: 12
Complexity: 55.7
Density: 0.808g/cm3
Flash Point: 185 °C
Enthalpy of Vaporization: 67.02 kJ/mol
Boiling Point: 335.4 °C at 760 mmHg
Vapour Pressure: 8.38E-06 mmHg at 25 °C
Product Categories: Organometallics
Canonical SMILES: C(C[O-])N(CC[O-])CC[O-].[OH-].[Ti+4]
InChI: InChI=1S/C6H12NO3.H2O.Ti/c8-4-1-7(2-5-9)3-6-10;;/h1-6H2;1H2;/q-3;;+4/p-1
InChIKey: IHEDBVUTTQXGSJ-UHFFFAOYSA-M
Titanium 2,2',2''-nitrilotrisethanolate (CAS NO.15879-01-3), its Synonyms are Tilcom AT 35 ; Tilcom TET ; Titanium triethanolaminate ; Triethanolamine orthotitanate ; Triethanolamine titanate ; Triethanolaminotitanate ; Titanium, hydroxy((2,2',2''-(nitrilo-kappaN)tris(ethanolato-kappaO))(3-))-, (TB-5-23)- ; Titanium, hydroxy((2,2',2''-nitrilotris(ethanolato))(3-)-N,O,O',O'')-, (TB-5-23)- .