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138222-66-9 | Pyridinium, 1-butyl-2-ethyl-, iodide (1:1)
CAS No: 138222-66-9 Catalog No: AG0018CL MDL No:
Product Description
Catalog Number:
AG0018CL
Chemical Name:
Pyridinium, 1-butyl-2-ethyl-, iodide (1:1)
CAS Number:
138222-66-9
Molecular Formula:
C11H18IN
Molecular Weight:
291.1718
IUPAC Name:
1-butyl-2-ethylpyridin-1-ium;iodide
InChI:
InChI=1S/C11H18N.HI/c1-3-5-9-12-10-7-6-8-11(12)4-2;/h6-8,10H,3-5,9H2,1-2H3;1H/q+1;/p-1
InChI Key:
LTNCMVWKXCHTOS-UHFFFAOYSA-M
SMILES:
CCCC[n+]1ccccc1CC.[I-]
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.176g/mol
Monoisotopic Mass:
291.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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