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102584-04-3 | Pyridinium, 3-hydroxy-1-[[(1-oxo-10-undecen-1-yl)amino]methyl]-, chloride (1:1)
CAS No: 102584-04-3 Catalog No: AG0007TP MDL No:
Product Description
Catalog Number:
AG0007TP
Chemical Name:
Pyridinium, 3-hydroxy-1-[[(1-oxo-10-undecen-1-yl)amino]methyl]-, chloride (1:1)
CAS Number:
102584-04-3
Molecular Formula:
C17H27ClN2O2
Molecular Weight:
326.8615
IUPAC Name:
N-[(3-hydroxypyridin-1-ium-1-yl)methyl]undec-10-enamide;chloride
InChI:
InChI=1S/C17H26N2O2.ClH/c1-2-3-4-5-6-7-8-9-12-17(21)18-15-19-13-10-11-16(20)14-19;/h2,10-11,13-14H,1,3-9,12,15H2,(H-,18,20,21);1H
InChI Key:
JNCVGCDQWVPSNC-UHFFFAOYSA-N
SMILES:
C=CCCCCCCCCC(=O)NC[n+]1cccc(c1)O.[Cl-]
NSC Number:
160260
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.176g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.865g/mol
Monoisotopic Mass:
326.176g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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