CAS
94023-50-4 Purity
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94023-50-4 Purity
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Lithium N-(2-carboxyethyl)-N-dodecyl-beta-alaninate
CAS
94023-56-0
Catalog Number
ACM94023560
Category
Other Products
Molecular Weight
341.34092
Molecular Formula
C18H35NO4.Li
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Specification
Synonyms
EINECS 301-654-2, Lithium N-(2-carboxyethyl)-N-dodecyl-beta-alaninate, 94023-56-0
IUPAC Name
dilithium 3-[dodecyl-(3-oxido-3-oxopropyl)amino]propanoate
Canonical SMILES
[Li+].[Li+].CCCCCCCCCCCCN(CCC(=O)[O-])CCC(=O)[O-]
InChI Key
DVCDLXSFBSVBAJ-UHFFFAOYSA-L
Density
g/cm³
EC Number
301-654-2
Exact Mass
341.27300
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of Lithium N-(2-carboxyethyl)-N-dodecyl-beta-alaninate?
The molecular formula is C18H33Li2NO4.
When was Lithium N-(2-carboxyethyl)-N-dodecyl-beta-alaninate created?
It was created on August 20, 2009.
What is the IUPAC name of Lithium N-(2-carboxyethyl)-N-dodecyl-beta-alaninate?
The IUPAC name is dilithium;3-[2-carboxylatoethyl(dodecyl)amino]propanoate.
What is the Canonical SMILES representation of Lithium N-(2-carboxyethyl)-N-dodecyl-beta-alaninate?
The Canonical SMILES is [Li+].[Li+].CCCCCCCCCCCCN(CCC(=O)[O-])CCC(=O)[O-].
What is the molecular weight of Lithium N-(2-carboxyethyl)-N-dodecyl-beta-alaninate?
The molecular weight is 341.4 g/mol.
How many hydrogen bond acceptor counts does Lithium N-(2-carboxyethyl)-N-dodecyl-beta-alaninate have?
It has 5 hydrogen bond acceptor counts.
What is the topological polar surface area of Lithium N-(2-carboxyethyl)-N-dodecyl-beta-alaninate?
The topological polar surface area is 83.5 Ų.
How many covalently-bonded unit counts does Lithium N-(2-carboxyethyl)-N-dodecyl-beta-alaninate have?
It has 3 covalently-bonded unit counts.
Is Lithium N-(2-carboxyethyl)-N-dodecyl-beta-alaninate a canonicalized compound?
Yes, it is a canonicalized compound.
What is the InChIKey of Lithium N-(2-carboxyethyl)-N-dodecyl-beta-alaninate?
The InChIKey is DVCDLXSFBSVBAJ-UHFFFAOYSA-L.
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