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4,10-Diaza-12-crown 4-Ether

Catalog Number
ACM294928-1
Product Name
4,10-Diaza-12-crown 4-Ether
Structure
CAS
294-92-8
Category
Macrocycles
IUPAC Name
1,7-dioxa-4,10-diazacyclododecane
Molecular Weight
174.24g/mol
Molecular Formula
C8H18N2O2
Canonical SMILES
C1COCCNCCOCCN1
InChI
InChI=1S/C8H18N2O2/c1-5-11-7-3-10-4-8-12-6-2-9-1/h9-10H,1-8H2
InChI Key
PWJHXHMUGFXPSN-UHFFFAOYSA-N
Complexity
81.1
Covalently-Bonded Unit Count
1
EC Number
206-034-4
Exact Mass
174.136828g/mol
Formal Charge
0
Heavy Atom Count
12
MeSH Entry Terms
1,7-dioxa-4,10-diazacyclododecane
Monoisotopic Mass
174.136828g/mol
Rotatable Bond Count
0
XLogP3
-1.4
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