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1-Aza-18-crown 6-Ether

Catalog Number
ACM33941150-1
CAS Number
33941-15-0
Product Name
1-Aza-18-crown 6-Ether
Structure
Category
Macrocycles; Supramolecular Host Materials
IUPAC Name
1,4,7,10,13-pentaoxa-16-azacyclooctadecane
Molecular Weight
263.33g/mol
Molecular Formula
C12H25NO5
Canonical SMILES
C1COCCOCCOCCOCCOCCN1
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
InChI Key
NBXKUSNBCPPKRA-UHFFFAOYSA-N
Complexity
155
Covalently-Bonded Unit Count
1
EC Number
251-751-8
Exact Mass
263.173273g/mol
Formal Charge
0
Heavy Atom Count
18
Monoisotopic Mass
263.173273g/mol
Rotatable Bond Count
0
XLogP3
-1.5
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