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183585-20-8 | Pyridinium, 1-[(octadecyloxy)methyl]-, bromide (1:1)
CAS No: 183585-20-8 Catalog No: AG0027PN MDL No:
Product Description
Catalog Number:
AG0027PN
Chemical Name:
Pyridinium, 1-[(octadecyloxy)methyl]-, bromide (1:1)
CAS Number:
183585-20-8
Molecular Formula:
C24H44BrNO
Molecular Weight:
442.5163
IUPAC Name:
1-(octadecoxymethyl)pyridin-1-ium;bromide
InChI:
InChI=1S/C24H44NO.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-24-25-21-18-17-19-22-25;/h17-19,21-22H,2-16,20,23-24H2,1H3;1H/q+1;/p-1
InChI Key:
JPEIBRBHMCTGEF-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCCCOC[n+]1ccccc1.[Br-]
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.261g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.526g/mol
Monoisotopic Mass:
441.261g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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