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102206-87-1 | Pyridinium, 1-[[(1-oxo-10-undecen-1-yl)amino]methyl]-, chloride (1:1)
CAS No: 102206-87-1 Catalog No: AG0006WJ MDL No:
Product Description
Catalog Number:
AG0006WJ
Chemical Name:
Pyridinium, 1-[[(1-oxo-10-undecen-1-yl)amino]methyl]-, chloride (1:1)
CAS Number:
102206-87-1
Molecular Formula:
C17H27ClN2O
Molecular Weight:
310.8621
IUPAC Name:
N-(pyridin-1-ium-1-ylmethyl)undec-10-enamide;chloride;hydrate
InChI:
InChI=1S/C17H26N2O.ClH.H2O/c1-2-3-4-5-6-7-8-10-13-17(20)18-16-19-14-11-9-12-15-19;;/h2,9,11-12,14-15H,1,3-8,10,13,16H2;1H;1H2
InChI Key:
VFKXCFJQMBRTBB-UHFFFAOYSA-N
SMILES:
C=CCCCCCCCCC(=O)NC[n+]1ccccc1.[Cl-]
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.192g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
328.881g/mol
Monoisotopic Mass:
328.192g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
34A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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