chempirical

3,3′,3′′-[1,2,3-Propanetriyltris(oxy)]tris[propanenitrile]

C12H17N3O3CAS 2465-93-2251.29 g/mol

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NOONON
EtherNitrile

Properties

Molecular formula
C12H17N3O3
Molar mass
251.29 g/mol
Exact mass
251.1270 Da
Boiling point
250–260 °C (at NaN Torr)
logP
1.15Crippen estimate
Polar surface area
99.1 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
11

Identifiers

CAS number
2465-93-2
SMILES
N#CCCOCC(COCCC#N)OCCC#N
InChIKey
ALGVJKNIAOBBBJ-UHFFFAOYSA-N
InChI
InChI=1S/C12H17N3O3/c13-4-1-7-16-10-12(18-9-3-6-15)11-17-8-2-5-14/h12H,1-3,7-11H2

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Names and synonyms

11 names
  • Propanenitrile, 3,3′,3′′-[1,2,3-propanetriyltris(oxy)]tris-
  • Propionitrile, 3,3′,3′′-(1,2,3-propanetriyltrioxy)tri-
  • 1,2,3-Tris(2-cyanoethoxy)propane
  • 1,2,3-Tris(β-cyanoethoxy)propane
  • Tris(β-cyanoethoxy)propane
  • 1,2,3-Tris(β-cyanethoxy)propane
  • Tris(cyanoethoxy)propane
  • TCEP
  • NSC 105812
  • 3-[[1,3-Bis(2-cyanoethoxy)propan-2-yl]oxy]propanenitrile
  • 3,3′,3′′-Propane-1,2,3-triyltrioxytripropiononitrile

Work with 3,3′,3′′-[1,2,3-Propanetriyltris(oxy)]tris[propanenitrile]

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

Bis(2-cyanoethyl) ether1656-48-057 % similar 3-Butoxypropanenitrile6959-71-347 % similar Glycol diglycidyl ether2224-15-944 % similar Ethoxylated glycerol31694-55-041 % similar 1,4-Butanediol diglycidyl ether2425-79-841 % similar 3-Methoxypropionitrile110-67-839 % similar 1,6-Hexanediol diglycidyl ether16096-31-439 % similar Bis(2-cyanoethyl)-N,N-diisopropyl phosphoramidite102690-88-037 % similar

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

Same formula

Leucine P-nitroanilide4178-93-2

Elsewhere

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