CAS 13316-71-7 | Morpholinium, 4-hexadecyl-4-methyl-, bromide (1:1) | CAS Number 13316-71-7

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13316-71-7 | Morpholinium, 4-hexadecyl-4-methyl-, bromide (1:1)

CAS No: 13316-71-7 Catalog No: AG0014CZ MDL No:

Product Description

Catalog Number:

AG0014CZ

Chemical Name:

Morpholinium, 4-hexadecyl-4-methyl-, bromide (1:1)

CAS Number:

13316-71-7

Molecular Formula:

C21H44BrNO

Molecular Weight:

406.4842

IUPAC Name:

4-hexadecyl-4-methylmorpholin-4-ium;bromide

InChI:

InChI=1S/C21H44NO.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(2)18-20-23-21-19-22;/h3-21H2,1-2H3;1H/q+1;/p-1

InChI Key:

MDDMJLVYCDPTPQ-UHFFFAOYSA-M

SMILES:

CCCCCCCCCCCCCCCC[N+]1(C)CCOCC1.[Br-]

Properties

Complexity:

248

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

405.261g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

406.493g/mol

Monoisotopic Mass:

405.261g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

9.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Dialkylamino and nitrogen heterocyclic analogues of hexadecylphosphocholine and cetyltrimetylammonium bromide: effect of phosphate group and environment of the ammonium cation on their biological activity.	European journal of medicinal chemistry 20091201