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102586-19-6 | 1,7-Phenanthrolinium, 4-[6-(diethylmethylammonio)hexyl]-10-hydroxy-7-methyl-, dibromide (9CI)
CAS No: 102586-19-6 Catalog No: AG0007UI MDL No:
Product Description
Catalog Number:
AG0007UI
Chemical Name:
1,7-Phenanthrolinium, 4-[6-(diethylmethylammonio)hexyl]-10-hydroxy-7-methyl-, dibromide (9CI)
CAS Number:
102586-19-6
Molecular Formula:
C24H37Br2N3O
Molecular Weight:
543.3781
IUPAC Name:
diethyl-[6-(10-hydroxy-7-methyl-8H-1,7-phenanthrolin-1-ium-4-yl)hexyl]-methylazanium;dibromide
InChI:
InChI=1S/C24H35N3O.2BrH/c1-5-27(4,6-2)18-10-8-7-9-11-19-14-16-25-24-20(19)12-13-21-23(24)22(28)15-17-26(21)3;;/h12-16H,5-11,17-18H2,1-4H3;2*1H
InChI Key:
CIIDCJANKWJALC-UHFFFAOYSA-N
SMILES:
CC[N+](CCCCCCc1cc[nH+]c2c1ccc1c2C(=CCN1C)O)(CC)C.[Br-].[Br-]
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
543.128g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
543.388g/mol
Monoisotopic Mass:
541.13g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
37.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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