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N,N'-Dibenzyl-4,13-diaza-18-crown 6-Ether

Catalog Number
ACM69703259-1
CAS Number
69703-25-9
Product Name
N,N'-Dibenzyl-4,13-diaza-18-crown 6-Ether
Structure
Category
Macrocycles; Supramolecular Host Materials
IUPAC Name
7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
Molecular Weight
442.6g/mol
Molecular Formula
C26H38N2O4
Canonical SMILES
C1COCCOCCN(CCOCCOCCN1CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C26H38N2O4/c1-3-7-25(8-4-1)23-27-11-15-29-19-21-31-17-13-28(24-26-9-5-2-6-10-26)14-18-32-22-20-30-16-12-27/h1-10H,11-24H2
InChI Key
WAHZGOBRKWVALN-UHFFFAOYSA-N
Complexity
382
Covalently-Bonded Unit Count
1
Exact Mass
442.283158g/mol
Formal Charge
0
Heavy Atom Count
32
MeSH Entry Terms
DBTODAOD;DD18C6 cpd;N,N'-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
Monoisotopic Mass
442.283158g/mol
Rotatable Bond Count
4
XLogP3
2.7
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