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Home > Pyridines > 72931-53-4

72931-53-4

72931-53-4 | Pyridinium, 1-pentadecyl-, chloride

CAS No: 72931-53-4 Catalog No: AG0038GU MDL No:

Product Description

Catalog Number:
AG0038GU
Chemical Name:
Pyridinium, 1-pentadecyl-, chloride
CAS Number:
72931-53-4
Molecular Formula:
C20H36ClN
Molecular Weight:
325.9595
IUPAC Name:
1-pentadecylpyridin-1-ium;chloride
InChI:
InChI=1S/C20H36N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21;/h14,16-17,19-20H,2-13,15,18H2,1H3;1H/q+1;/p-1
InChI Key:
ADHVJJCUOMLUBX-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]

Properties

Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.254g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.965g/mol
Monoisotopic Mass:
325.254g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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