1-Octadecanaminium, 2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyl-, 4-methylbenzenesulfonate (1:1)
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1-Octadecanaminium, 2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyl-, 4-methylbenzenesulfonate (1:1)
structure -
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CAS No:
94249-13-5
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Formula:
C23H50NO3.C7H7O3S
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Chemical Name:
1-Octadecanaminium, 2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyl-, 4-methylbenzenesulfonate (1:1)
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Synonyms:
1-Octadecanaminium,2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyl-,4-methylbenzenesulfonate (1:1);1-Octadecanaminium,2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyl-,salt with 4-methylbenzenesulfonic acid (1:1)
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CAS No:
1-Octadecanaminium, 2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyl-, 4-methylbenzenesulfonate (1:1) Basic Attributes
559.84168
559.391
304-386-4
Computed Properties
Molecular Weight:559.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:21
Exact Mass:559.39065971
Monoisotopic Mass:559.39065971
Topological Polar Surface Area:126
Heavy Atom Count:38
Complexity:486
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
1-Octadecanaminium, 2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyl-, 4-methylbenzenesulfonate (1:1)
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