CAS
93804-73-0 Purity
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93804-73-0 Purity
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Diethylmethyl[2-[(1-oxoallyl)oxy]propyl]ammonium chloride
CAS
93804-77-4
Catalog Number
ACM93804774
Category
Other Products
Molecular Weight
235.750880 [g/mol]
Molecular Formula
C11H22ClNO2
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Specification
Synonyms
EINECS 298-455-5, Diethylmethyl(2-((1-oxoallyl)oxy)propyl)ammonium chloride, 93804-77-4
IUPAC Name
diethyl-methyl-(2-prop-2-enoyloxypropyl)azanium chloride
SMILES
CC[N+](C)(CC)CC(C)OC(=O)C=C.[Cl-]
InChI Key
NNLKRJIEZYOPNY-UHFFFAOYSA-M
Boiling Point
266.9ºC at 760 mmHg
Flash Point
115.2ºC
EC Number
298-455-5
Exact Mass
235.13400
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Diethylmethyl[2-[(1-oxoallyl)oxy]propyl]ammonium chloride?
The molecular formula is C11H22ClNO2.
What are some synonyms for Diethylmethyl[2-[(1-oxoallyl)oxy]propyl]ammonium chloride?
Some synonyms include DIETHYLMETHYL[2-[(1-OXOALLYL)OXY]PROPYL]AMMONIUM CHLORIDE and Diethylmethyl(2-((1-oxoallyl)oxy)propyl)ammonium chloride.
What is the molecular weight of Diethylmethyl[2-[(1-oxoallyl)oxy]propyl]ammonium chloride?
The molecular weight is 235.75 g/mol.
What is the IUPAC name of Diethylmethyl[2-[(1-oxoallyl)oxy]propyl]ammonium chloride?
The IUPAC name is diethyl-methyl-(2-prop-2-enoyloxypropyl)azanium;chloride.
What is the InChIKey of Diethylmethyl[2-[(1-oxoallyl)oxy]propyl]ammonium chloride?
The InChIKey is NNLKRJIEZYOPNY-UHFFFAOYSA-M.
What is the canonical SMILES representation of Diethylmethyl[2-[(1-oxoallyl)oxy]propyl]ammonium chloride?
The canonical SMILES representation is CC[N+](C)(CC)CC(C)OC(=O)C=C.[Cl-].
What is the CAS number for Diethylmethyl[2-[(1-oxoallyl)oxy]propyl]ammonium chloride?
The CAS number is 93804-77-4.
How many hydrogen bond acceptor counts does Diethylmethyl[2-[(1-oxoallyl)oxy]propyl]ammonium chloride have?
It has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does Diethylmethyl[2-[(1-oxoallyl)oxy]propyl]ammonium chloride have?
It has 7 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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