chempirical

Aza-18-crown-6

C12H25NO5CAS 33941-15-0263.33 g/mol

Open in Covalent MOL file
OOOOOHN
EtherSecondary amine

Properties

Molecular formula
C12H25NO5
Molar mass
263.33 g/mol
Exact mass
263.1733 Da
Melting point
48 °C
Boiling point
95–99 °C (at 0.02 Torr)
logP
-0.33Crippen estimate
Polar surface area
58.2 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
0

Identifiers

CAS number
33941-15-0
SMILES
C1COCCOCCOCCOCCOCCN1
InChIKey
NBXKUSNBCPPKRA-UHFFFAOYSA-N
InChI
InChI=1S/C12H25NO5/c1-3-14-5-7-16-9-11-18-12-10-17-8-6-15-4-2-13-1/h13H,1-12H2

Weigh it out

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

Names and synonyms

5 names
  • 1,4,7,10,13-Pentaoxa-16-azacyclooctadecane
  • 1-Aza-4,7,10,13,16-pentaoxacyclooctadecane
  • Monoaza-18-crown-6
  • 1-Aza-18-crown-6
  • 1-Aza-18-crown-6-ether

Work with Aza-18-crown-6

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

1,4,10-Trioxa-7,13-diazacyclopentadecane31249-95-3100 % 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

PubChem CAS Common Chemistry NIST WebBook