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Titanium,bis[2-[bis(2-hydroxyethyl)amino-kN]ethanolato-kO]bis(2-propanolato)- (36673-16-2)

Identification
Name:Titanium,bis[2-[bis(2-hydroxyethyl)amino-kN]ethanolato-kO]bis(2-propanolato)-
Synonyms:Ethanol,2,2',2''-nitrilotri-, diester with diisopropyl titanate(IV) (6CI);Titanium,bis[[2,2',2''-nitrilotris[ethanolato]](1-)-N,O]bis(2-propanolato)-;Titanium,diisopropoxybis(2,2',2''-nitrilotriethanolato)- (7CI);Ethanol, 2,2',2''-nitrilotris-, titanium complex;AKT 845;Bis(triethanolamine) diisopropyl titanate;Bis(triethanolamino)titaniumdiisopropoxide;Bis[bis(2-hydroxyethyl)aminoethyl] diisopropyl titanate;Diisopropoxytitanium bis(triethanolamine);NSC 5285;TEAT;Titaniumbis(isopropoxy) bis(triethanolamine);Titanium diisopropoxybis(triethanolaminate);Titanium diisopropylate di(triethanolamine);Tyzor TE;
CAS:36673-16-2
EINECS: 253-153-2
Molecular Formula: C18H42N2O8Ti
Molecular Weight: 462.40
InChI: InChI=1/2C6H15NO3.2C3H8O.Ti/c2*8-4-1-7(2-5-9)3-6-10;2*1-3(2)4;/h2*8-10H,1-6H2;2*3-4H,1-2H3;/q;;;;+2
Molecular Structure: (C18H42N2O8Ti) Ethanol,2,2',2''-nitrilotri-, diester with diisopropyl titanate(IV) (6CI);Titanium,bis[[2,2',2''-nit...
Properties
Transport:1993
Flash Point: 16ºC
Boiling Point: 85ºC
Density:1,06 g/cm3
Refractive index:1.4880
Specification:

The IUPAC name of Titanium bis(triethanolamine)diisopropoxide is 2-[bis(2-hydroxyethyl)amino]ethanolate; propan-2-olate; titanium(4+). With the CAS registry number 36673-16-2, it is also named as Titanium(IV) bis(triethanolaminate) diisoproxide. The product's category is Organometallics, and its other registry numbers are 14789-03-8, 29664-04-8, 39333-78-3, 41536-21-4, 55945-91-0 and 70645-02-2. In addition, its molecular formula is C18H42N2O8Ti and its molecular weight is 462.40. 

The other characteristics of Titanium bis(triethanolamine)diisopropoxide can be summarized as: (1)H-Bond Donor: 4; (2)H-Bond Acceptor: 10; (3)Rotatable Bond Count: 12; (4)Exact Mass: 462.242063; (5)MonoIsotopic Mass: 462.242063; (6)Topological Polar Surface Area: 180; (7)Heavy Atom Count: 29; (8)Complexity: 74.8; (9)Boiling Point: 85 °C; (10)density: 1.06 g/cm3; (11)refractive index: 1.4880; (12)Flash Point: 16 °C.

When you are using this chemical, please be cautious about it as the following: Titanium bis(triethanolamine)diisopropoxide is highly flammable and irritating to eyes. You should keep away from sources of ignition. Moreover, in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:CC(C)O[Ti](OCCN(CCO)CCO)(OCCN(CCO)CCO)OC(C)C
(2)InChI:InChI=1/2C6H14NO3.2C3H7O.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/rC18H42N2O8Ti/c1-17(2)27-29(28-18(3)4,25-15-9-19(5-11-21)6-12-22)26-16-10-20(7-13-23)8-14-24/h17-18,21-24H,5-16H2,1-4H3
(3)InChIKey:XAVMMNWPOYCFPU-JTHKPDKKAN
(4)Std. 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
(5)Std. InChIKey:XAVMMNWPOYCFPU-UHFFFAOYSA-N

Flash Point: 16ºC
Safety Data
 

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