Home Nitros Quinolinium, 6-ethoxy-1-methyl-2-[2-(3-nitrophenyl)ethenyl]-, methyl sulfate (1:1)

Quinolinium, 6-ethoxy-1-methyl-2-[2-(3-nitrophenyl)ethenyl]-, methyl sulfate (1:1)

CAS No.:
25910-85-4
Catalog Number:
AG002QZY
Molecular Formula:
C20H19N2O3+
Molecular Weight:
335.3765
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$148
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Product Description
Catalog Number:
AG002QZY
Chemical Name:
Quinolinium, 6-ethoxy-1-methyl-2-[2-(3-nitrophenyl)ethenyl]-, methyl sulfate (1:1)
CAS Number:
25910-85-4
Molecular Formula:
C20H19N2O3+
Molecular Weight:
335.3765
MDL Number:
MFCD00011967
IUPAC Name:
6-ethoxy-1-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinolin-1-ium;methyl sulfate
InChI:
InChI=1S/C20H19N2O3.CH4O4S/c1-3-25-19-11-12-20-16(14-19)8-10-17(21(20)2)9-7-15-5-4-6-18(13-15)22(23)24;1-5-6(2,3)4/h4-14H,3H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1/b9-7+;
InChI Key:
ZXQHSPWBYMLHLB-BXTVWIJMSA-M
SMILES:
CCOc1ccc2c(c1)ccc([n+]2C)/C=C/c1cccc(c1)[N+](=O)[O-]
EC Number:
247-336-6
Properties
Complexity:
567  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
446.115g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
446.474g/mol
Monoisotopic Mass:
446.115g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties