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26346-70-3 | Pyridinium, 3-(aminocarbonyl)-1-hexadecyl-, bromide (1:1)
CAS No: 26346-70-3 Catalog No: AG002SUL MDL No:
Product Description
Catalog Number:
AG002SUL
Chemical Name:
Pyridinium, 3-(aminocarbonyl)-1-hexadecyl-, bromide (1:1)
CAS Number:
26346-70-3
Molecular Formula:
C22H39BrN2O
Molecular Weight:
427.4619
IUPAC Name:
1-hexadecylpyridin-1-ium-3-carboxamide;bromide
InChI:
InChI=1S/C22H38N2O.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-19-16-17-21(20-24)22(23)25;/h16-17,19-20H,2-15,18H2,1H3,(H-,23,25);1H
InChI Key:
FSFACMLZZFXONE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC[n+]1cccc(c1)C(=O)N.[Br-]
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.225g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
427.471g/mol
Monoisotopic Mass:
426.225g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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