CAS
93858-74-3 Purity
96%
93858-74-3 Purity
96%
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[(1-Oxoallyl)amino]octadecanesulfonic acid
CAS
93858-81-2
Catalog Number
ACM93858812
Category
Other Products
Molecular Weight
403.619540 [g/mol]
Molecular Formula
C21H41NO4S
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Specification
Synonyms
EINECS 299-315-6, ((1-Oxoallyl)amino)octadecanesulphonic acid, 93858-81-2
IUPAC Name
18-(prop-2-enoylamino)octadecane-1-sulfonic acid
InChI Key
FCURXVNBEGSXLT-UHFFFAOYSA-N
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of [(1-Oxoallyl)amino]octadecanesulfonic acid?
The molecular formula is C21H41NO4S.
When was the compound created and last modified?
It was created on August 20, 2009, and last modified on December 30, 2023.
What is the IUPAC name of [(1-Oxoallyl)amino]octadecanesulfonic acid?
The IUPAC name is 18-(prop-2-enoylamino)octadecane-1-sulfonic acid.
What is the InChIKey of the compound?
The InChIKey is FCURXVNBEGSXLT-UHFFFAOYSA-N.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES representation is C=CC(=O)NCCCCCCCCCCCCCCCCCCS(=O)(=O)O.
What is the molecular weight of [(1-Oxoallyl)amino]octadecanesulfonic acid?
The molecular weight is 403.6 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the Topological Polar Surface Area of the compound?
The Topological Polar Surface Area is 91.8 Ų.
How many rotatable bond counts does the compound have?
The compound has 20 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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