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

C₁₂H₁₇N₃O₃CAS 2465-93-2251.29 g/mol

Open in Covalent MOL file

Ether Nitrile

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 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 11

Hazards

Danger

H301 Toxic if swallowed16.7% of notifiers
H302 Harmful if swallowed83.3% of notifiers
H312 Harmful in contact with skin83.3% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H332 Harmful if inhaled83.3% of notifiers
H335 May cause respiratory irritation16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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 3-Ethoxypropanenitrile2141-62-046 % similar Glycol diglycidyl ether2224-15-944 % similar Glycerol propoxylate triglycidyl ether37237-76-643 % similar Ethoxylated glycerol31694-55-041 % similar 1,4-Butanediol diglycidyl ether2425-79-841 % similar 3-Methoxypropionitrile110-67-839 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Leucine p-nitroanilide4178-93-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook