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84255-08-3 | Quinolinium,1-ethyl-4-[(1-ethyl-2(1H)-pyridinylidene)methyl]-, iodide (1:1)
CAS No: 84255-08-3 Catalog No: AG005725 MDL No:
Product Description
Catalog Number:
AG005725
Chemical Name:
Quinolinium,1-ethyl-4-[(1-ethyl-2(1H)-pyridinylidene)methyl]-, iodide (1:1)
CAS Number:
84255-08-3
Molecular Formula:
C19H21IN2
Molecular Weight:
404.2879
IUPAC Name:
1-ethyl-4-[(1-ethylpyridin-1-ium-2-yl)methylidene]quinoline;iodide
InChI:
InChI=1S/C19H21N2.HI/c1-3-20-13-8-7-9-17(20)15-16-12-14-21(4-2)19-11-6-5-10-18(16)19;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key:
TUBSYDOUZQWHHO-UHFFFAOYSA-M
SMILES:
CC[n+]1ccc(c2c1cccc2)C=c1ccccn1CC.[I-]
EC Number:
282-555-0
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.075g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.295g/mol
Monoisotopic Mass:
404.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
7.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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