Diaza-18-crown-6

C₁₂H₂₆N₂O₄CAS 23978-55-4262.35 g/mol

Open in Covalent MOL file

Ether Secondary amine

Properties

Molecular formula: C₁₂H₂₆N₂O₄
Molar mass: 262.35 g/mol
Exact mass: 262.1893 Da
Density: 1.11 g/mL
Melting point: 141–144 °C
logP: -0.75Crippen estimate
Polar surface area: 61.0 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation95.7% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

Aggregated from 47 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

23978-55-4

SMILES

C1COCCOCCNCCOCCOCCN1

InChIKey

NLMDJJTUQPXZFG-UHFFFAOYSA-N

InChI

InChI=1S/C12H26N2O4/c1-5-15-9-10-17-7-3-14-4-8-18-12-11-16-6-2-13-1/h13-14H,1-12H2

Weigh it out

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

Names and synonyms

20 names · show all

1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane
1,7,10,16-Tetraoxa-4,13-diazacyclooctadecane
Kryptofix[2.2]
Kryptand[2.2]
Kryptofix 22
Cryptand 22
1,10-Diaza-4,7,13,16-tetraoxa-18-crown-6
1,10-Diaza-18-crown-6
1,10-Diaza-4,7,13,16-tetraoxacyclooctadecane
4,13-Diaza-18-crown-6
7,16-Diaza-1,4,10,13-tetraoxacyclooctadecane
2,2′-Kryptofix
Diaza crown ether 22
Crytand[2,2]
7,16-Diaza-18-crown-6
1,10-Diaza-18-crown ether
Cryptand(2.2)
NSC 339325
4,7,13,16-Tetraoxa-1,10-diazacyclooctadecane
4,13-Diaza-18-crown-6-ether

Reactions

4,13-DIAZA-18-CROWN-6 (1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane)product

Work with Diaza-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-18-crown-633941-15-0100 % similar Aza-15-crown-566943-05-3100 % similar 1,4-Oxazepane hydrochloride178312-62-458 % similar 1,4-Dioxane123-91-150 % similar 18-Crown-617455-13-950 % similar 12-Crown-4294-93-950 % similar 15-Crown-533100-27-550 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook