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190718-94-6 | Pyridinium, 4-[2-[4-(dimethylamino)phenyl]diazenyl]-1-methyl-, iodide (1:1)
CAS No: 190718-94-6 Catalog No: AG002EQW MDL No:
Product Description
Catalog Number:
AG002EQW
Chemical Name:
Pyridinium, 4-[2-[4-(dimethylamino)phenyl]diazenyl]-1-methyl-, iodide (1:1)
CAS Number:
190718-94-6
Molecular Formula:
C14H17IN4
Molecular Weight:
368.2160
IUPAC Name:
N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;iodide
InChI:
InChI=1S/C14H17N4.HI/c1-17(2)14-6-4-12(5-7-14)15-16-13-8-10-18(3)11-9-13;/h4-11H,1-3H3;1H/q+1;/p-1
InChI Key:
XPAHRVPHHHXPBR-UHFFFAOYSA-M
SMILES:
C[n+]1ccc(cc1)N=Nc1ccc(cc1)N(C)C.[I-]
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.05g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.222g/mol
Monoisotopic Mass:
368.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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