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110203-12-8 | Isoquinolinium, 2-pentyl-, iodide
CAS No: 110203-12-8 Catalog No: AG007DT1 MDL No:
Product Description
Catalog Number:
AG007DT1
Chemical Name:
Isoquinolinium, 2-pentyl-, iodide
CAS Number:
110203-12-8
Molecular Formula:
C14H18IN
Molecular Weight:
327.2039
IUPAC Name:
2-pentylisoquinolin-2-ium;iodide
InChI:
InChI=1S/C14H18N.HI/c1-2-3-6-10-15-11-9-13-7-4-5-8-14(13)12-15;/h4-5,7-9,11-12H,2-3,6,10H2,1H3;1H/q+1;/p-1
InChI Key:
UWVNZRQFYXMOSH-UHFFFAOYSA-M
SMILES:
CCCCC[n+]1ccc2c(c1)cccc2.[I-]
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.209g/mol
Monoisotopic Mass:
327.048g/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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