CAS
96472-14-9 Purity
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96472-14-9 Purity
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Barium ionophore i
CAS
96476-01-6
Catalog Number
ACM96476016
Category
Other Products
Molecular Weight
644.883040 [g/mol]
Molecular Formula
C40H56N2O5
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Specification
Synonyms
Barium ionophore I, AC1N5DPC, SureCN7263843, V 163, N,N-dicyclohexyl-2-[2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]phenoxy]acetamide, 96476-01-6, N,N,N inverted exclamation marka,N inverted exclamation marka-Tetracyclohexyl-oxybis(o-phenyleneoxy)diacetamide
IUPAC Name
N,N-dicyclohexyl-2-[2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]phenoxy]acetamide
InChI Key
SPJLINWMLSKBNV-UHFFFAOYSA-N
Exact Mass
644.41900
H-Bond Acceptor
5
H-Bond Donor
0
WGK Germany
3
What is the molecular formula of the Barium ionophore referenced?
The molecular formula is C40H56N2O5.
What is the molecular weight of the Barium ionophore?
The molecular weight is 644.9 g/mol.
What is the IUPAC name of the Barium ionophore?
N,N-dicyclohexyl-2-[2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]phenoxy]acetamide.
What is the InChIKey of the Barium ionophore?
The InChIKey is SPJLINWMLSKBNV-UHFFFAOYSA-N.
How many hydrogen bond acceptors does the Barium ionophore have?
The Barium ionophore has 5 hydrogen bond acceptors.
What is the XLogP3-AA value of the Barium ionophore?
The XLogP3-AA value is 9.7.
Does the Barium ionophore have any defined atom stereocenters?
No, it does not have any defined atom stereocenters.
What is the topological polar surface area of the Barium ionophore?
The topological polar surface area is 68.3 Å2.
What is the formal charge of the Barium ionophore?
The formal charge is 0.
Is the compound of the Barium ionophore canonicalized?
Yes, the compound is canonicalized.
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