CAS
93842-80-9 Purity
96%
93842-80-9 Purity
96%
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Diethylmethyl[1-methyl-1-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium methyl sulfate
CAS
93842-86-5
Catalog Number
ACM93842865
Category
Other Products
Molecular Weight
325.421580 [g/mol]
Molecular Formula
C12H24NO2.CH3O4S
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Specification
Synonyms
EINECS 299-065-8, Diethylmethyl(1-methyl-1-((2-methyl-1-oxoallyl)oxy)ethyl)ammonium methyl sulphate, 93842-86-5
IUPAC Name
diethyl-methyl-[2-(2-methylprop-2-enoyloxy)propan-2-yl]azanium; methyl sulfate
Canonical SMILES
CC[N+](C)(CC)C(C)(C)OC(=O)C(=C)C.COS(=O)(=O)[O-]
InChI Key
JLIVGHGJELSRNU-UHFFFAOYSA-M
Boiling Point
262ºC at 760 mmHg
Flash Point
112.3ºC
EC Number
299-065-8
Exact Mass
325.15600
H-Bond Acceptor
6
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 44149728?
The molecular formula is C13H27NO6S.
When was the compound with PubChem CID 44149728 created?
It was created on August 20, 2009.
What is the IUPAC name of the compound with PubChem CID 44149728?
The IUPAC name is diethyl-methyl-[2-(2-methylprop-2-enoyloxy)propan-2-yl]azanium;methyl sulfate.
What is the molecular weight of the compound with PubChem CID 44149728?
The molecular weight is 325.42 g/mol.
How many hydrogen bond donor counts does the compound with PubChem CID 44149728 have?
It has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound with PubChem CID 44149728 have?
It has 6 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound with PubChem CID 44149728?
The topological polar surface area is 101 Ų.
How many defined atom stereocenter counts does the compound with PubChem CID 44149728 have?
It has 0 defined atom stereocenter counts.
Is the compound with PubChem CID 44149728 canonicalized?
Yes, the compound is canonicalized.
What is the Canonical SMILES representation of the compound with PubChem CID 44149728?
The Canonical SMILES is CC[N+](C)(CC)C(C)(C)OC(=O)C(=C)C.COS(=O)(=O)[O-].
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CAS
93842-88-7 Purity
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93842-88-7 Purity
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![Diethylmethyl[[1-methyl-1-(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride](https://resource.alfa-chemistry.com/structure/93842-89-8.gif)
CAS
93842-89-8 Purity
96%
93842-89-8 Purity
96%
![Diethylmethyl[1-methyl-1-[(1-oxoallyl)oxy]ethyl]ammonium chloride](https://resource.alfa-chemistry.com/structure/93842-90-1.gif)
CAS
93842-90-1 Purity
96%
93842-90-1 Purity
96%
