CAS
94276-77-4 Purity
96%
94276-77-4 Purity
96%
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Bis-(2-hydroxy-1-methylethyl)methyl(octadecyl)ammonium methyl sulfate
CAS
94276-97-8
Catalog Number
ACM94276978
Category
Other Products
Molecular Weight
511.798880 [g/mol]
Molecular Formula
C25H54NO2.CH3O4S
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Specification
Synonyms
EINECS 304-581-4, Bis(2-hydroxy-1-methylethyl)methyl(octadecyl)ammonium methyl sulphate, 94276-97-8
IUPAC Name
bis(1-hydroxypropan-2-yl)-methyl-octadecylazanium; methyl sulfate
Canonical SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C(C)CO)C(C)CO.COS(=O)(=O)[O-]
InChI Key
DJMQPILHXDXSGC-UHFFFAOYSA-M
EC Number
304-581-4
H-Bond Acceptor
6
H-Bond Donor
2
What is the molecular formula of the compound with PubChem CID 44147971?
The molecular formula is C26H57NO6S.
What is the molecular weight of the compound?
The molecular weight is 511.8 g/mol.
What are some synonyms for this compound?
Some synonyms include Bis(2-hydroxy-1-methylethyl)methyl(octadecyl)ammonium methyl sulphate.
When was this compound created and last modified?
It was created on 2009-08-20 and last modified on 2023-12-30.
What are the component compounds of this compound?
The component compounds are Methyl sulfate and Bis(1-hydroxypropan-2-yl)-methyl-octadecylazanium.
What is the IUPAC name of this compound?
The IUPAC name is bis(1-hydroxypropan-2-yl)-methyl-octadecylazanium;methyl sulfate.
What is the Canonical SMILES representation of this compound?
The Canonical SMILES is CCCCCCCCCCCCCCCCCC[N+](C)(C(C)CO)C(C)CO.COS(=O)(=O)[O-].
What is the CAS number of this compound?
The CAS number is 94276-97-8.
How many hydrogen bond donor count does this compound have?
It has 2 hydrogen bond donor counts.
Is the compound Canonicalized?
Yes, the compound is Canonicalized according to PubChem.
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