CAS
94313-69-6 Purity
96%
94313-69-6 Purity
96%
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Ammonium 2-(1-carboxylatoethoxy)-1-methyl-2-oxoethyl stearate
CAS
94313-74-3
Catalog Number
ACM94313743
Category
Other Products
Molecular Weight
446.641020 [g/mol]
Molecular Formula
C24H48NO6+
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Specification
Synonyms
94313-74-3, 2-[[2-[(1-Oxooctadecyl)oxy]-2-methyl-1-oxoethyl]oxy]propionic acid ammonium salt
IUPAC Name
azanium;2-(2-octadecanoyloxypropanoyloxy)propanoic acid
InChI Key
VCERRNPXCNTYQK-UHFFFAOYSA-O
Boiling Point
567.7ºC at 760 mmHg
Flash Point
297.1ºC
Exact Mass
445.34000
H-Bond Acceptor
6
H-Bond Donor
2
What is the molecular formula of Ammonium 2-(1-carboxylatoethoxy)-1-methyl-2-oxoethyl stearate?
The molecular formula is C24H47NO6.
What is the molecular weight of Ammonium 2-(1-carboxylatoethoxy)-1-methyl-2-oxoethyl stearate?
The molecular weight is 445.6 g/mol.
What are some synonyms for Ammonium 2-(1-carboxylatoethoxy)-1-methyl-2-oxoethyl stearate?
Some synonyms include Ammonium stearoyl lactylate and EINECS 304-973-5.
When was Ammonium 2-(1-carboxylatoethoxy)-1-methyl-2-oxoethyl stearate created and modified in PubChem?
It was created on 2009-08-20 and last modified on 2023-12-30.
What is the IUPAC name of Ammonium 2-(1-carboxylatoethoxy)-1-methyl-2-oxoethyl stearate?
The IUPAC name is azane;2-(2-octadecanoyloxypropanoyloxy)propanoic acid.
What is the InChIKey of Ammonium 2-(1-carboxylatoethoxy)-1-methyl-2-oxoethyl stearate?
The InChIKey is VCERRNPXCNTYQK-UHFFFAOYSA-N.
What is the Canonical SMILES representation of Ammonium 2-(1-carboxylatoethoxy)-1-methyl-2-oxoethyl stearate?
The Canonical SMILES is CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O.N.
How many hydrogen bond donor counts does Ammonium 2-(1-carboxylatoethoxy)-1-methyl-2-oxoethyl stearate have?
It has 2 hydrogen bond donor counts.
What is the topological polar surface area of Ammonium 2-(1-carboxylatoethoxy)-1-methyl-2-oxoethyl stearate?
The topological polar surface area is 90.9 Ų.
Is the compound Ammonium 2-(1-carboxylatoethoxy)-1-methyl-2-oxoethyl stearate canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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