CAS
94134-16-4 Purity
96%
94134-16-4 Purity
96%
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(2,3-Dihydroxypropyl)(2-hydroxyoctyl)dimethylammonium toluene-p-sulfonate
CAS
94134-24-4
Catalog Number
ACM94134244
Category
Other Products
Molecular Weight
419.575880 [g/mol]
Molecular Formula
C13H30NO3.C7H7O3S
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Specification
Synonyms
EINECS 302-792-6, (2,3-Dihydroxypropyl)(2-hydroxyoctyl)dimethylammonium toluene-p-sulphonate, 94134-24-4
IUPAC Name
2,3-dihydroxypropyl-(2-hydroxyoctyl)-dimethylazanium; 4-methylbenzenesulfonate
Canonical SMILES
CCCCCCC(C[N+](C)(C)CC(CO)O)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]
InChI Key
YTHWXMVRUPETGQ-UHFFFAOYSA-M
EC Number
302-792-6
Exact Mass
419.23400
H-Bond Acceptor
6
H-Bond Donor
3
What is the molecular formula of the compound?
The molecular formula of the compound is C20H37NO6S.
When was the compound created and modified?
The compound was created on August 20, 2009, and modified on December 30, 2023.
What are some synonyms for the compound?
Some synonyms for the compound include EINECS 302-792-6, 94134-24-4, and DTXSID40916373.
What is the molecular weight of the compound?
The molecular weight of the compound is 419.6 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 3 hydrogen bond donor counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 126 2.
How many heavy atoms are present in the compound?
There are 28 heavy atoms present in the compound.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the formal charge of the compound?
The formal charge of the compound is 0.
How many covalently-bonded units are present in the compound?
There are 2 covalently-bonded units present in the compound.
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