Tri(propargyl-NHCO-ethyloxyethyl)amine

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Tri(propargyl-NHCO-ethyloxyethyl)amine

Tri(propargyl-NHCO-ethyloxyethyl)amine

Catalog Number R01-0081
Category Alkynes
Molecular Formula C24H36N4O6
Molecular Weight 476.6
Catalog Number Size Price Quantity
R01-0081 -- $--
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Chemical Information
Purity 98%
IUPAC Name 3-[2-[bis[2-[3-oxo-3-(prop-2-ynylamino)propoxy]ethyl]amino]ethoxy]-N-prop-2-ynylpropanamide
Canonical SMILES C#CCNC(=O)CCOCCN(CCOCCC(=O)NCC#C)CCOCCC(=O)NCC#C
InChI InChI=1S/C24H36N4O6/c1-4-10-25-22(29)7-16-32-19-13-28(14-20-33-17-8-23(30)26-11-5-2)15-21-34-18-9-24(31)27-12-6-3/h1-3H,7-21H2,(H,25,29)(H,26,30)(H,27,31)
InChI Key IREDTJVEYMNUME-UHFFFAOYSA-N
Solubility Water, DMSO, DCM, DMF
  • Product Specification
Storage -20 °C

Computed Properties
XLogP3 -2.1
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 21
Exact Mass 476.26348488 g/mol
Monoisotopic Mass 476.26348488 g/mol
Topological Polar Surface Area 118Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 642
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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