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Home> Hot Product Listed S   > smr001317054
84083-24-9 structure

smr001317054

Iupac Name:2-[2-aminoethyl-[2-[bis(2-hydroxyethyl)amino]ethyl]amino]ethanol
CAS No.:84083-24-9
Molecular Weight:235.328
Molecular Formula:C9H5CLF3N3OS (isomer)
Names and Identifiers
Synonyms

AC1MPU2S CHEMBL1729498 HMS3062D04 MCULE-9310529457 MLS002249627 n'-[1-(5-bromothiophen-2-yl)ethylidene]-2,5-dimethylfuran-3-carbohydrazide n-[1-(5-bromothiophen-2-yl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide Z44834323

Inchi
InChI=1S/C10H25N3O3/c11-1-2-12(5-8-14)3-4-13(6-9-15)7-10-16/h14-16H,1-11H2
InChkey
AAGUVQQKGCSYKO-UHFFFAOYSA-N
Canonical Smiles
C(CN(CCN(CCO)CCO)CCO)N
Properties
Refractive Index
1.538
Computational chemical data
  • Molecular Weight:235.328g/mol
  • Molecular Formula:C9H5CLF3N3OS
  • Compound Is Canonicalized:True
  • Exact Mass:235.19
  • Monoisotopic Mass:235.19
  • Complexity:143
  • Rotatable Bond Count:11
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:93.2A^2
  • Heavy Atom Count:16
  • 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: AAADceBzMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAAAADhgAYAAANAAgAA AAAAAAAAAAAAAAAAAIAIAAACUAAAAAAQAAAAEACQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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