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15879-01-3

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Basic Information
CAS No.: 15879-01-3
Name: Titanium 2,2',2''-nitrilotrisethanolate
Molecular Structure:
Molecular Structure of 15879-01-3 (Titanium 2,2',2''-nitrilotrisethanolate)
Formula: C6H13 N O4 Ti
Molecular Weight: 211.04
Synonyms: Ethanol,2,2',2''-nitrilotri-, titanium salt (8CI);Titanium, hydroxy[[2,2',2''-nitrilotris[ethanolato]](3-)-N,O,O',O'']-,(TB-5-23)-;Natol S;Tilcom AT 23;Tilcom AT 33;Tilcom AT 34;Tilcom AT 35;Tilcom TET;Titanium triethanolaminate;Triethanolamine orthotitanate;Triethanolamine titanate;Triethanolaminotitanate;Tyzor TEP;Ultratex EB;
EINECS: 240-015-1
Density: 0.808g/cm3
Melting Point: 20.5oC
Boiling Point: 157.6°Cat760mmHg
Flash Point: 30.6°C
Solubility: 100mg/L at 20℃
Appearance: White Powder
PSA: 51.16000
LogP: -0.50780
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Chemistry

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

Specification

 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)- .