Pyridinium,4-[2-[4-(didecylamino)phenyl]ethenyl]-1-methyl-,iodide(1:1)

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CAS
95378-73-7
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Purity
96%
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Catalog Number

ACM95378737

Product Name

Pyridinium,4-[2-[4-(didecylamino)phenyl]ethenyl]-1-methyl-,iodide(1:1)

Structure

CAS

95378-73-7

What is the molecular formula of the compound?

The molecular formula of the compound is C34H55IN2.

What is the synonym for the compound?

The synonym for the compound is 4-(4-(DIDECYLAMINO)STYRYL)-N-METHYLPYRIDINIUM IODIDE.

What is the molecular weight of the compound?

The molecular weight of the compound is 618.7 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is N,N-didecyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;iodide.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C34H55N2.HI/c1-4-6-8-10-12-14-16-18-28-36(29-19-17-15-13-11-9-7-5-2)34-24-22-32(23-25-34)20-21-33-26-30-35(3)31-27-33;/h20-27,30-31H,4-19,28-29H2,1-3H3;1H/q+1;/p-1.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is CCCCCCCCCCN(CCCCCCCCCC)C1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)C.[I-].

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count of the compound is 0.

What is the hydrogen bond acceptor count of the compound?

The hydrogen bond acceptor count of the compound is 2.

What is the rotatable bond count of the compound?

The rotatable bond count of the compound is 21.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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