CAS
97686-99-2 Purity
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97686-99-2 Purity
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Bis-(2-hydroxyethyl)methyl(octadec-9-enyl)ammonium methyl sulfate
CAS
97692-47-2
Catalog Number
ACM97692472
Category
Other Products
Molecular Weight
481.729840 [g/mol]
Molecular Formula
C23H48NO2.CH3O4S
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Specification
Synonyms
EINECS 307-700-8, Bis(2-hydroxyethyl)methyl(octadec-9-enyl)ammonium methyl sulphate, 97692-47-2
IUPAC Name
bis(2-hydroxyethyl)-methyl-[(E)-octadec-9-enyl]azanium; methyl sulfate
Canonical SMILES
CCCCCCCCC=CCCCCCCCC[N+](C)(CCO)CCO.COS(=O)(=O)[O-]
InChI Key
WJAAUKLVAAHXDQ-ASTDGNLGSA-M
EC Number
307-700-8
H-Bond Acceptor
6
H-Bond Donor
2
What is the molecular formula of the compound?
The molecular formula of the compound is C24H51NO6S.
What is the molecular weight of the compound?
The molecular weight of the compound is 481.7 g/mol.
What are some synonyms for the compound?
Some synonyms for the compound include Bis(2-hydroxyethyl)methyl(octadec-9-enyl)ammonium methyl sulphate and bis-(2-Hydroxyethyl)methyl(octadec-9-enyl)ammonium methyl sulfate.
What is the IUPAC name of the compound?
The IUPAC name of the compound is bis(2-hydroxyethyl)-methyl-[(E)-octadec-9-enyl]azanium;methyl sulfate.
What is the InChIKey of the compound?
The InChIKey of the compound is WJAAUKLVAAHXDQ-ASTDGNLGSA-M.
How many hydrogen bond donor counts are there in the compound?
There are 2 hydrogen bond donor counts in the compound.
How many hydrogen bond acceptor counts are there in the compound?
There are 6 hydrogen bond acceptor counts in the compound.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 115 Å2.
How many rotatable bond counts are there in the compound?
There are 20 rotatable bond counts in the compound.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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97692-48-3 Purity
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CAS
97692-50-7 Purity
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97692-50-7 Purity
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CAS
97692-52-9 Purity
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97692-52-9 Purity
96%
