Tetra(Cyanoethoxymethyl) Methane

HCID 258651

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Basic information

CAS: 2465-91-0
Standard SMILES: N#CCCOCC(COCCC#N)(COCCC#N)COCCC#N
InChIKey: KSXHZOTTWSNEHY-UHFFFAOYSA-N
Molecular formula: C17H24N4O4
Average molar mass: 348.4 g/mol
Monoisotopic mass: 348.17975525

Names & identifiers

Preferred name: Tetra(Cyanoethoxymethyl) Methane
IUPAC: 3-[3-(2-cyanoethoxy)-2,2-bis(2-cyanoethoxymethyl)propoxy]propanenitrile
English name: Tetra(Cyanoethoxymethyl) Methane
Molecular formula: C17H24N4O4
Molecular weight: 348.4

Names & synonyms

Tetra(Cyanoethoxymethyl) Methane2465-91-06,6-BIS(4-CYANO-2-OXABUTYL)-4,8-DIOXAUNDECANE-1,11-DINITRILE3-{3-(2-cyanoethoxy)-2,2-bis[(2-cyanoethoxy)methyl]propoxy}propanenitrile3-[3-(2-cyanoethoxy)-2,2-bis(2-cyanoethoxymethyl)propoxy]propanenitrile3,3'-((2,2-bis((2-cyanoethoxy)methyl)propane-1,3-diyl)bis(oxy))dipropanenitriletetracyano3,3'-[{2,2-Bis[(2-cyanoethoxy)methyl]propane-1,3-diyl}bis(oxy)]dipropanenitrileNSC87888orb1988898SCHEMBL1344130DTXSID00293218

Show more names

Propanenitrile, 3,3'-[[2,2-bis[(2-cyanoethoxy)methyl]-1,3-propanediyl]bis(oxy)]bis-

C17H24N4O4CAA46591Tetrakis(2-cyanoethoxymethyl)methaneMFCD00053281NSC-87888TETRA(CYANOETHOXYMETHYL)METHANEAKOS040742712Tetrakis-[(2-cyanoethoxy)methyl]methane

Database identifiers

CAS: 2465-91-0
PubChem CID: 258651
DTXSID: DTXSID00293218
Nikkaji: J1.563.713G

Properties

Computed structural properties

XLogP: -1.5
Topological polar surface area: 132 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 16
Heavy atoms: 25
Formal charge: 0
Complexity: 440

Physicochemical properties

Melting point: 43.4 · 43.4-43.9 °C
Boiling point: 610.6 · 610.6±55.0 °C(Predicted)
Density: 1.13 · 1.130±0.06 g/cm3(Predicted)

Chemistry & industry

Applications

DescriptionTetra(cyanoethoxymethyl) methane is an alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs. The nitrile groups can be hydrolyzed, reduced, or ejected from a molecule as a cyanide ion.

UsesTetra(cyanoethoxymethyl) methane is an alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs[1].