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Structure

4-[[4-(Dimethylamino)phenyl]iminomethyl]-N,N,N-trimethylanilinium methyl sulfate

CAS
94107-96-7
Catalog Number
ACM94107967
Category
Other Products
Molecular Formula
C18H24N3.CH3O4S

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What is the molecular formula of the compound?

The molecular formula is C19H27N3O4S.

What is the molecular weight of the compound?

The molecular weight is 393.5 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is [4-[[4-(dimethylamino)phenyl]iminomethyl]phenyl]-trimethylazanium;methyl sulfate.

What is the InChI of the compound?

The InChI is InChI=1S/C18H24N3.CH4O4S/c1-20(2)17-10-8-16(9-11-17)19-14-15-6-12-18(13-7-15)21(3,4)5;1-5-6(2,3)4/h6-14H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1.

What is the InChIKey of the compound?

The InChIKey is KOTQVWGDAGINHD-UHFFFAOYSA-M.

What is the canonical SMILES of the compound?

The canonical SMILES is CN(C)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)[N+](C)(C)C.COS(=O)(=O)[O-].

What is the CAS number of the compound?

The CAS number is 94107-96-7.

What is the European Community (EC) number of the compound?

The European Community (EC) number is 302-332-4.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count is 0.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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