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Home> Hot Product Listed T   > Titanium hydride
1177827-73-4 structure

Titanium hydride

Iupac Name:N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(cyclohexylmethylamino)-6-[(4-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CAS No.:1177827-73-4
EINECS(EC#): 260-978-1
Molecular Weight:594.736
Molecular Formula:C11H13N3O2 (isomer)
Names and Identifiers
Synonyms

Tetrahydridetitanium(IV) Tetrahydrogen titanium(IV) salt TiH4 Titanium hydride [un1871] [flammable solid] Titanium(IV) hydride Un1871

Inchi
InChI=1S/C31H43FN8O3/c32-26-10-6-25(7-11-26)22-36-30-38-29(35-21-24-4-2-1-3-5-24)39-31(40-30)37-27-12-8-23(9-13-27)20-28(41)34-15-17-43-19-18-42-16-14-33/h6-13,24H,1-5,14-22,33H2,(H,34,41)(H3,35,36,37,38,39,40)
InChkey
MOVYITHKOHMLHC-UHFFFAOYSA-N
Canonical Smiles
C1CCC(CC1)CNC2=NC(=NC(=N2)NCC3=CC=C(C=C3)F)NC4=CC=C(C=C4)CC(=O)NCCOCCOCCN
Properties
Boiling Point
668.6°Cat760mmHg
Computational chemical data
  • Molecular Weight:594.736g/mol
  • Molecular Formula:C11H13N3O2
  • Compound Is Canonicalized:True
  • Exact Mass:594.344
  • Monoisotopic Mass:594.344
  • Complexity:749
  • Rotatable Bond Count:18
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:11
  • Topological Polar Surface Area:148A^2
  • Heavy Atom Count:43
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB78QAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAAAB0AAAHwAQAAAADQjhmA4x0IbIFACo AiVSdACCAAkhAoAJiIEIZIiLKDLAnZGHIAholgLayCcYiICOCAAAAAAAAAAQAAAAAAAAAAAAAAAA AA==
 
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