CAS
97158-18-4 Purity
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97158-18-4 Purity
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Diammonium 1-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]2-sulfonatosuccinate
CAS
97158-33-3
Catalog Number
ACM97158333
Category
Other Products
Molecular Weight
585.794600 [g/mol]
Molecular Formula
C26H55N3O9S
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Specification
Synonyms
EINECS 306-363-4, Diammonium 1-(2-((2-hydroxyethyl)(1-oxooctadecyl)amino)ethyl) 2-sulphonatosuccinate, 97158-33-3
IUPAC Name
diazanium 4-[2-[2-hydroxyethyl(octadecanoyl)amino]ethoxy]-4-oxo-3-sulfonatobutanoate
SMILES
CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[NH4+].[NH4+]
InChI Key
DRMZRZWNBSJZGR-UHFFFAOYSA-N
Boiling Point
795.7ºC at 760 mmHg
Flash Point
435ºC
EC Number
306-363-4
Exact Mass
585.36600
H-Bond Acceptor
9
H-Bond Donor
3
What is the molecular formula of Diammonium 1-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]2-sulfonatosuccinate?
The molecular formula is C26H55N3O9S.
How much is the molecular weight of Diammonium 1-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]2-sulfonatosuccinate?
The molecular weight is 585.8 g/mol.
What is the IUPAC name of Diammonium 1-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]2-sulfonatosuccinate?
The IUPAC name is diazanium;4-[2-[2-hydroxyethyl(octadecanoyl)amino]ethoxy]-4-oxo-3-sulfonatobutanoate.
What is the Canonical SMILES notation for Diammonium 1-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]2-sulfonatosuccinate?
The Canonical SMILES is CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[NH4+].[NH4+].
What is the InChIKey for Diammonium 1-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]2-sulfonatosuccinate?
The InChIKey is DRMZRZWNBSJZGR-UHFFFAOYSA-N.
How many hydrogen bond donor counts are present in Diammonium 1-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]2-sulfonatosuccinate?
There are 3 hydrogen bond donors.
How many hydrogen bond acceptor counts are present in Diammonium 1-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]2-sulfonatosuccinate?
There are 9 hydrogen bond acceptors.
What is the exact mass of Diammonium 1-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]2-sulfonatosuccinate?
The exact mass is 585.36590151 g/mol.
How many rotatable bond counts are present in Diammonium 1-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]2-sulfonatosuccinate?
There are 24 rotatable bonds.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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