Aza-15-crown-5

C10H21NO4CAS 66943-05-3219.28 g/mol

Open in Covalent MOL file
OOOONH
EtherSecondary amine

Properties

Molecular formula
C10H21NO4
Molar mass
219.28 g/mol
Exact mass
219.1471 Da
Melting point
29 °C
Boiling point
80–82 °C (at 0.02 Torr)
logP
-0.34Crippen estimate
Polar surface area
49.0 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
66943-05-3
SMILES
C1COCCOCCOCCOCCN1
InChIKey
BJUOQSZSDIHZNP-UHFFFAOYSA-N
InChI
InChI=1S/C10H21NO4/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h11H,1-10H2

Weigh it out

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

Names and synonyms

6 names
  • 1,4,7,10-Tetraoxa-13-azacyclopentadecane
  • Monoaza-15-crown-5
  • 1-Aza-4,7,10,13-tetraoxacyclopentadecane
  • 1-Aza-15-crown-5
  • 1,4,7,10-Tetraoxa-15-azacyclopentadecane
  • 13-Aza-15-crown-5

Work with Aza-15-crown-5

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

Diaza-18-crown-623978-55-4100 % similar 1,4,10-Trioxa-7,13-diazacyclopentadecane31249-95-3100 % similar Aza-18-crown-633941-15-0100 % similar Morpholine110-91-892 % similar Morpholinium chloride10024-89-273 % similar 1,4-Oxazepane hydrochloride178312-62-458 % similar 1,4-Dioxane123-91-150 % similar 18-Crown-617455-13-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Miglustat72599-27-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook