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145234-93-1 | Pyridinium, 1-[[[4-(dimethylamino)phenyl]methylene]amino]-2-methyl-5-nitro-, perchlorate (1:1)
CAS No: 145234-93-1 Catalog No: AG001KOT MDL No:
Product Description
Catalog Number:
AG001KOT
Chemical Name:
Pyridinium, 1-[[[4-(dimethylamino)phenyl]methylene]amino]-2-methyl-5-nitro-, perchlorate (1:1)
CAS Number:
145234-93-1
Molecular Formula:
C15H17ClN4O6
Molecular Weight:
384.7717
IUPAC Name:
N,N-dimethyl-4-[(2-methyl-5-nitropyridin-1-ium-1-yl)iminomethyl]aniline;perchlorate
InChI:
InChI=1S/C15H17N4O2.ClHO4/c1-12-4-7-15(19(20)21)11-18(12)16-10-13-5-8-14(9-6-13)17(2)3;2-1(3,4)5/h4-11H,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
GNXGGKCOKGUOIU-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CN(c1ccc(cc1)C=N[n+]1cc(ccc1C)[N+](=O)[O-])C
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.084g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.773g/mol
Monoisotopic Mass:
384.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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