chempirical

Tyzor te

C18H42N2O8TiCAS 36673-16-2462.41 g/mol

Open in Covalent MOL file
O−O−O−NHOOHO−NHOOHTi4+
AlcoholTertiary amine

Properties

Molecular formula
C18H42N2O8Ti
Molar mass
462.41 g/mol
Exact mass
462.2421 Da
logP
-5.23Crippen estimate
Polar surface area
179.6 Ų
H-bond donors / acceptors
4 / 10
Rotatable bonds
12

Identifiers

CAS number
36673-16-2
SMILES
CC(C)[O-].CC(C)[O-].[O-]CCN(CCO)CCO.[O-]CCN(CCO)CCO.[Ti+4]
InChIKey
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

23 names · show all
  • 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
  • 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

Work with Tyzor te

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Chlorotriisopropoxytitanium20717-86-639 % similar 1-Aziridineethanol1072-52-238 % similar 1,4-Piperazinediethanol122-96-338 % similar N,N,N′,N′-Tetrakis(2-hydroxyethyl)ethylenediamine140-07-838 % similar Diethanolisopropanolamine6712-98-736 % similar 1-Pyrrolidineethanol2955-88-635 % similar Triethanolamine hydrochloride637-39-835 % similar 4-Methyl-1-piperazineethanol5464-12-035 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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