200,000+ products from a single source!
sales@angenechem.com
16022-70-1 | Quinolinium, 1,1'-(1,10-decanediyl)bis[4-amino-2-methyl-, 2-hydroxybenzoate (1:2)
CAS No: 16022-70-1 Catalog No: AG001RS1 MDL No:
Product Description
Catalog Number:
AG001RS1
Chemical Name:
Quinolinium, 1,1'-(1,10-decanediyl)bis[4-amino-2-methyl-, 2-hydroxybenzoate (1:2)
CAS Number:
16022-70-1
Molecular Formula:
C44H50N4O6
Molecular Weight:
730.8910
IUPAC Name:
1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine;2-carboxyphenolate
InChI:
InChI=1S/C30H38N4.2C7H6O3/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;2*8-6-4-2-1-3-5(6)7(9)10/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*1-4,8H,(H,9,10)
InChI Key:
KJKANYXQJTTYMC-UHFFFAOYSA-N
SMILES:
[O-]C(=O)c1ccccc1O.[O-]C(=O)c1ccccc1O.Nc1cc(C)[n+](c2c1cccc2)CCCCCCCCCC[n+]1c(C)cc(c2c1cccc2)N
EC Number:
240-157-4
UNII:
65A568ZIJ4
Properties
Complexity:
665
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
730.373g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
730.906g/mol
Monoisotopic Mass:
730.373g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
181A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.