CAS
93842-86-5 Purity
96%
93842-86-5 Purity
96%
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Diethylmethyl[1-methyl-1-[(1-oxoallyl)oxy]ethyl]ammonium chloride
CAS
93842-90-1
Catalog Number
ACM93842901
Category
Other Products
Molecular Weight
235.750880 [g/mol]
Molecular Formula
C11H22ClNO2
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Specification
Synonyms
EINECS 299-068-4, Diethylmethyl(1-methyl-1-((1-oxoallyl)oxy)ethyl)ammonium chloride, 93842-90-1
IUPAC Name
diethyl-methyl-(2-prop-2-enoyloxypropan-2-yl)azanium chloride
SMILES
CC[N+](C)(CC)C(C)(C)OC(=O)C=C.[Cl-]
InChI Key
NDESLBMVDAWMGB-UHFFFAOYSA-M
Boiling Point
243.4ºC at 760 mmHg
Flash Point
101ºC
EC Number
299-068-4
Exact Mass
235.13400
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Diethylmethyl[1-methyl-1-[(1-oxoallyl)oxy]ethyl]ammonium chloride?
The molecular formula is C11H22ClNO2.
When was the compound created and last modified?
It was created on December 5, 2007, and last modified on December 30, 2023.
What is the molecular weight of Diethylmethyl[1-methyl-1-[(1-oxoallyl)oxy]ethyl]ammonium chloride?
The molecular weight is 235.75 g/mol.
What are some synonyms for Diethylmethyl[1-methyl-1-[(1-oxoallyl)oxy]ethyl]ammonium chloride?
Some synonyms include 93842-90-1, DIETHYLMETHYL[1-METHYL-1-[(1-OXOALLYL)OXY]ETHYL]AMMONIUM CHLORIDE, and more.
What is the IUPAC name of the compound?
The IUPAC name is diethyl-methyl-(2-prop-2-enoyloxypropan-2-yl)azanium; chloride.
What is the InChIKey of Diethylmethyl[1-methyl-1-[(1-oxoallyl)oxy]ethyl]ammonium chloride?
The InChIKey is NDESLBMVDAWMGB-UHFFFAOYSA-M.
How many hydrogen bond acceptors does the compound have?
It has 3 hydrogen bond acceptors.
What is the topological polar surface area of the compound?
The topological polar surface area is 26.3 Ų.
How many rotatable bond counts does Diethylmethyl[1-methyl-1-[(1-oxoallyl)oxy]ethyl]ammonium chloride have?
It has 6 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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