CAS 141625-25-4 | 1-Hexadecanaminium, N,N-dibutyl-N-methyl-, bromide (1:1) | CAS Number 141625-25-4

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141625-25-4 | 1-Hexadecanaminium, N,N-dibutyl-N-methyl-, bromide (1:1)

CAS No: 141625-25-4 Catalog No: AG001GOS MDL No:

Product Description

Catalog Number:

AG001GOS

Chemical Name:

1-Hexadecanaminium, N,N-dibutyl-N-methyl-, bromide (1:1)

CAS Number:

141625-25-4

Molecular Formula:

C25H54BrN

Molecular Weight:

448.6070

IUPAC Name:

dibutyl-hexadecyl-methylazanium;bromide

InChI:

InChI=1S/C25H54N.BrH/c1-5-8-11-12-13-14-15-16-17-18-19-20-21-22-25-26(4,23-9-6-2)24-10-7-3;/h5-25H2,1-4H3;1H/q+1;/p-1

InChI Key:

VMRPPTCVSFPRNO-UHFFFAOYSA-M

SMILES:

CCCCCCCCCCCCCCCC[N+](CCCC)(CCCC)C.[Br-]

Properties

Complexity:

253

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

447.344g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

448.618g/mol

Monoisotopic Mass:

447.344g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^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