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6277-85-6 | 3,5-Diethyl-1-phenyl-2-propylpyridin-1-ium iodide
CAS No: 6277-85-6 Catalog No: AG01EWQ7 MDL No:MFCD06637716
Product Description
Catalog Number:
AG01EWQ7
Chemical Name:
3,5-Diethyl-1-phenyl-2-propylpyridin-1-ium iodide
CAS Number:
6277-85-6
Molecular Formula:
C18H24IN
Molecular Weight:
381.2943
MDL Number:
MFCD06637716
IUPAC Name:
3,5-diethyl-1-phenyl-2-propylpyridin-1-ium;iodide
InChI:
InChI=1S/C18H24N.HI/c1-4-10-18-16(6-3)13-15(5-2)14-19(18)17-11-8-7-9-12-17;/h7-9,11-14H,4-6,10H2,1-3H3;1H/q+1;/p-1
InChI Key:
VNUPITXHVFOTOO-UHFFFAOYSA-M
SMILES:
CCCc1c(CC)cc(c[n+]1c1ccccc1)CC.[I-]
NSC Number:
35430
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.301g/mol
Monoisotopic Mass:
381.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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