CAS 23978-55-4 4,13-Diaza-18-crown 6-Ether - Materials / Alfa Chemistry

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4,13-Diaza-18-crown 6-Ether

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Catalog Number

ACM23978554-1

CAS Number

23978-55-4

Product Name

4,13-Diaza-18-crown 6-Ether

Structure

Category

Macrocycles; Supramolecular Host Materials

IUPAC Name

1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

Molecular Weight

262.35g/mol

Molecular Formula

C12H26N2O4

Canonical SMILES

C1COCCOCCNCCOCCOCCN1

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

InChI Key

NLMDJJTUQPXZFG-UHFFFAOYSA-N

Complexity

138

Covalently-Bonded Unit Count

EC Number

245-965-0

Exact Mass

262.189257g/mol

Formal Charge

Heavy Atom Count

MeSH Entry Terms

1,4,10,13-tetraoxa-7,16-diaza-cyclooctadecane;cryptand 2.2;K22 diaza-crown ether;Kryptofix 22

Monoisotopic Mass

262.189257g/mol

NSC Number

339325

Rotatable Bond Count

UNII

XLY51T1RSZ

XLogP3

-1.4

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