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23624-78-4 | 1,10-Phenanthrolinium, 1,3,5,6,8-pentamethyl-, iodide (1:1)
CAS No: 23624-78-4 Catalog No: AG002NXP MDL No:
Product Description
Catalog Number:
AG002NXP
Chemical Name:
1,10-Phenanthrolinium, 1,3,5,6,8-pentamethyl-, iodide (1:1)
CAS Number:
23624-78-4
Molecular Formula:
C17H19IN2
Molecular Weight:
378.2506
IUPAC Name:
1,3,5,6,8-pentamethyl-1,10-phenanthrolin-1-ium;iodide
InChI:
InChI=1S/C17H19N2.HI/c1-10-6-14-12(3)13(4)15-7-11(2)9-19(5)17(15)16(14)18-8-10;/h6-9H,1-5H3;1H/q+1;/p-1
InChI Key:
XCSFYDFPYQVSOX-UHFFFAOYSA-M
SMILES:
Cc1cnc2c(c1)c(C)c(c1c2[n+](C)cc(c1)C)C.[I-]
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.059g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.257g/mol
Monoisotopic Mass:
378.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
16.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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