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149576-26-1 | Pyridinium, 1-[3-(hexadecyloxy)-2-methoxypropyl]-3-(hydroxymethyl)-, bromide (1:1)
CAS No: 149576-26-1 Catalog No: AG001LUD MDL No:
Product Description
Catalog Number:
AG001LUD
Chemical Name:
Pyridinium, 1-[3-(hexadecyloxy)-2-methoxypropyl]-3-(hydroxymethyl)-, bromide (1:1)
CAS Number:
149576-26-1
Molecular Formula:
C26H48BrNO3
Molecular Weight:
502.5682
IUPAC Name:
[1-(3-hexadecoxy-2-methoxypropyl)pyridin-1-ium-3-yl]methanol
InChI:
InChI=1S/C26H48NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-30-24-26(29-2)22-27-19-17-18-25(21-27)23-28/h17-19,21,26,28H,3-16,20,22-24H2,1-2H3/q+1
InChI Key:
OXPKEWYJGZOESS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOCC(C[n+]1cccc(c1)CO)OC.[Br-]
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.363g/mol
Formal Charge:
1
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.674g/mol
Monoisotopic Mass:
422.363g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
42.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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