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17944-45-5 | Quinolinium, 1-methyl-2-[(1-methyl-2(1H)-quinolinylidene)methyl]-
CAS No: 17944-45-5 Catalog No: AG00270L MDL No:
Product Description
Catalog Number:
AG00270L
Chemical Name:
Quinolinium, 1-methyl-2-[(1-methyl-2(1H)-quinolinylidene)methyl]-
CAS Number:
17944-45-5
Molecular Formula:
C21H19N2+
Molecular Weight:
299.3890
IUPAC Name:
1-methyl-2-[(1-methylquinolin-1-ium-2-yl)methylidene]quinoline
InChI:
InChI=1S/C21H19N2/c1-22-18(13-11-16-7-3-5-9-20(16)22)15-19-14-12-17-8-4-6-10-21(17)23(19)2/h3-15H,1-2H3/q+1
InChI Key:
BHHHTWCSSUMQAY-UHFFFAOYSA-N
SMILES:
Cn1c(=Cc2ccc3c([n+]2C)cccc3)ccc2c1cccc2
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.155g/mol
Formal Charge:
1
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.397g/mol
Monoisotopic Mass:
299.155g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
7.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5
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