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121774-63-8 | Pyridinium, 1-[[[4-(dimethylamino)phenyl]methylene]amino]-2,6-dimethyl-, perchlorate (1:1)
CAS No: 121774-63-8 Catalog No: AG0015Y3 MDL No:
Product Description
Catalog Number:
AG0015Y3
Chemical Name:
Pyridinium, 1-[[[4-(dimethylamino)phenyl]methylene]amino]-2,6-dimethyl-, perchlorate (1:1)
CAS Number:
121774-63-8
Molecular Formula:
C16H20ClN3O4
Molecular Weight:
353.8007
IUPAC Name:
4-[(2,6-dimethylpyridin-1-ium-1-yl)iminomethyl]-N,N-dimethylaniline;perchlorate
InChI:
InChI=1S/C16H20N3.ClHO4/c1-13-6-5-7-14(2)19(13)17-12-15-8-10-16(11-9-15)18(3)4;2-1(3,4)5/h5-12H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
BVOGOLDGPOMVSE-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CN(c1ccc(cc1)C=N[n+]1c(C)cccc1C)C
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.114g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.803g/mol
Monoisotopic Mass:
353.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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