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145234-91-9 | Pyridinium, 3-(dimethylamino)-1-[[[4-(dimethylamino)phenyl]methylene]amino]-2-methyl-, perchlorate (1:1)
CAS No: 145234-91-9 Catalog No: AG001KOU MDL No:
Product Description
Catalog Number:
AG001KOU
Chemical Name:
Pyridinium, 3-(dimethylamino)-1-[[[4-(dimethylamino)phenyl]methylene]amino]-2-methyl-, perchlorate (1:1)
CAS Number:
145234-91-9
Molecular Formula:
C17H23ClN4O4
Molecular Weight:
382.8419
IUPAC Name:
1-[[4-(dimethylamino)phenyl]methylideneamino]-N,N,6-trimethyl-2H-pyridin-5-amine;perchloric acid
InChI:
InChI=1S/C17H24N4.ClHO4/c1-14-17(20(4)5)7-6-12-21(14)18-13-15-8-10-16(11-9-15)19(2)3;2-1(3,4)5/h6-11,13H,12H2,1-5H3;(H,2,3,4,5)
InChI Key:
AGHWHSIATOUOOE-UHFFFAOYSA-N
SMILES:
[O-][Cl](=O)(=O)=O.CN(c1ccc(cc1)C=N[n+]1cccc(c1C)N(C)C)C
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.156g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.861g/mol
Monoisotopic Mass:
384.156g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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