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100301-28-8 | Pyridinium, 2-[2-[4-(dipropylamino)phenyl]ethenyl]-1-methyl-, iodide (1:1)
CAS No: 100301-28-8 Catalog No: AG0001IW MDL No:
Product Description
Catalog Number:
AG0001IW
Chemical Name:
Pyridinium, 2-[2-[4-(dipropylamino)phenyl]ethenyl]-1-methyl-, iodide (1:1)
CAS Number:
100301-28-8
Molecular Formula:
C20H27IN2
Molecular Weight:
422.3462
IUPAC Name:
4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]-N,N-dipropylaniline;iodide
InChI:
InChI=1S/C20H27N2.HI/c1-4-15-22(16-5-2)20-13-10-18(11-14-20)9-12-19-8-6-7-17-21(19)3;/h6-14,17H,4-5,15-16H2,1-3H3;1H/q+1;/p-1
InChI Key:
QNZMVNPCYKMJRA-UHFFFAOYSA-M
SMILES:
CCCN(c1ccc(cc1)C=Cc1cccc[n+]1C)CCC.[I-]
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.122g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.354g/mol
Monoisotopic Mass:
422.122g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
7.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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