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125093-39-2 | Quinolinium, 4-amino-1-hexyl-2-methyl-, iodide (1:1)
CAS No: 125093-39-2 Catalog No: AG000N4G MDL No:
Product Description
Catalog Number:
AG000N4G
Chemical Name:
Quinolinium, 4-amino-1-hexyl-2-methyl-, iodide (1:1)
CAS Number:
125093-39-2
Molecular Formula:
C16H23IN2
Molecular Weight:
370.2717
IUPAC Name:
1-hexyl-2-methylquinolin-1-ium-4-amine
InChI:
InChI=1S/C16H22N2/c1-3-4-5-8-11-18-13(2)12-15(17)14-9-6-7-10-16(14)18/h6-7,9-10,12,17H,3-5,8,11H2,1-2H3/p+1
InChI Key:
CYIRGHODMMRTGY-UHFFFAOYSA-O
SMILES:
CCCCCC[n+]1c(C)cc(c2c1cccc2)N.[I-]
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.186g/mol
Formal Charge:
1
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.374g/mol
Monoisotopic Mass:
243.186g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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