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Structure

Allyldimethyl(3-sulphonatopropyl)ammonium

CAS
93841-12-4
Catalog Number
ACM93841124
Category
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What is the molecular formula of allyldimethyl(3-sulphonatopropyl)ammonium?

The molecular formula of allyldimethyl(3-sulphonatopropyl)ammonium is C8H17NO3S.

When was allyldimethyl(3-sulphonatopropyl)ammonium created in PubChem?

Allyldimethyl(3-sulphonatopropyl)ammonium was created in PubChem on 2005-08-08.

What is the molecular weight of allyldimethyl(3-sulphonatopropyl)ammonium?

The molecular weight of allyldimethyl(3-sulphonatopropyl)ammonium is 207.29 g/mol.

What is the IUPAC name for allyldimethyl(3-sulphonatopropyl)ammonium?

The IUPAC name for allyldimethyl(3-sulphonatopropyl)ammonium is 3-[dimethyl(prop-2-enyl)azaniumyl]propane-1-sulfonate.

What is the Canonical SMILES for allyldimethyl(3-sulphonatopropyl)ammonium?

The Canonical SMILES for allyldimethyl(3-sulphonatopropyl)ammonium is C[N+](C)(CCCS(=O)(=O)[O-])CC=C.

What is the InChIKey for allyldimethyl(3-sulphonatopropyl)ammonium?

The InChIKey for allyldimethyl(3-sulphonatopropyl)ammonium is AAXOEELKVAXGBQ-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does allyldimethyl(3-sulphonatopropyl)ammonium have?

Allyldimethyl(3-sulphonatopropyl)ammonium has 3 hydrogen bond acceptor counts.

What is the topological polar surface area of allyldimethyl(3-sulphonatopropyl)ammonium?

The topological polar surface area of allyldimethyl(3-sulphonatopropyl)ammonium is 65.6 Ų.

How many rotatable bond counts does allyldimethyl(3-sulphonatopropyl)ammonium have?

Allyldimethyl(3-sulphonatopropyl)ammonium has 5 rotatable bond counts.

Is the compound canonicalized for allyldimethyl(3-sulphonatopropyl)ammonium?

Yes, the compound is canonicalized for allyldimethyl(3-sulphonatopropyl)ammonium according to PubChem.

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