chempirical

1,4,10-Trioxa-7,13-diazacyclopentadecane

C10H22N2O3CAS 31249-95-3218.30 g/mol

Open in Covalent MOL file
ONHOONH
EtherSecondary amine

Properties

Molecular formula
C10H22N2O3
Molar mass
218.30 g/mol
Exact mass
218.1630 Da
Melting point
89–91 °C
Boiling point
80–85 °C (at 0.015 Torr)
logP
-0.77Crippen estimate
Polar surface area
51.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
0

Identifiers

CAS number
31249-95-3
SMILES
C1COCCNCCOCCOCCN1
InChIKey
STHIZMRUXPMSCW-UHFFFAOYSA-N
InChI
InChI=1S/C10H22N2O3/c1-5-13-6-2-12-4-8-15-10-9-14-7-3-11-1/h11-12H,1-10H2

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

Names and synonyms

9 names
  • Kryptofix 21
  • 4,7,13-Trioxa-1,10-diazacyclopentadecane
  • 1,7-Diaza-4,10,13-trioxacyclopentadecane
  • 1,7-Diaza-15-crown-5
  • Diaza crown ether 21
  • Cryptand 21
  • 4,10-Diaza-15-crown-5
  • 7,13-Diaza-15-crown-5
  • NSC 339327

Work with 1,4,10-Trioxa-7,13-diazacyclopentadecane

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

Aza-18-crown-633941-15-0100 % similar Aza-15-crown-566943-05-3100 % similar Morpholine110-91-892 % similar Morpholinium chloride10024-89-273 % similar 1,4-Dioxane123-91-150 % similar 12-Crown-4294-93-950 % similar 15-Crown-533100-27-550 % similar Ethylene oxide75-21-850 % similar

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

Elsewhere

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