Aza-18-crown-6

C₁₂H₂₅NO₅CAS 33941-15-0263.33 g/mol

Open in Covalent MOL file

Ether Secondary 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 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

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

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

Diaza-18-crown-623978-55-4100 % similar 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-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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook