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139958-75-1 | Pyridinium, 1-ethyl-4-[[(4-methoxyphenyl)imino]methyl]-, iodide (1:1)
CAS No: 139958-75-1 Catalog No: AG001BVM MDL No:
Product Description
Catalog Number:
AG001BVM
Chemical Name:
Pyridinium, 1-ethyl-4-[[(4-methoxyphenyl)imino]methyl]-, iodide (1:1)
CAS Number:
139958-75-1
Molecular Formula:
C15H17IN2O
Molecular Weight:
368.2128
IUPAC Name:
1-(1-ethylpyridin-1-ium-4-yl)-N-(4-methoxyphenyl)methanimine;iodide
InChI:
InChI=1S/C15H17N2O.HI/c1-3-17-10-8-13(9-11-17)12-16-14-4-6-15(18-2)7-5-14;/h4-12H,3H2,1-2H3;1H/q+1;/p-1
InChI Key:
MYVIPUJPOQCXIT-UHFFFAOYSA-M
SMILES:
CC[n+]1ccc(cc1)C=Nc1ccc(cc1)OC.[I-]
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.039g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.218g/mol
Monoisotopic Mass:
368.039g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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