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126685-01-6 | Phenazinium, 3,7-bis(dimethylamino)-5-phenyl-, iodide (1:1)
CAS No: 126685-01-6 Catalog No: AG000T3V MDL No:
Product Description
Catalog Number:
AG000T3V
Chemical Name:
Phenazinium, 3,7-bis(dimethylamino)-5-phenyl-, iodide (1:1)
CAS Number:
126685-01-6
Molecular Formula:
C22H23IN4
Molecular Weight:
470.3493
IUPAC Name:
2-N,2-N,8-N,8-N-tetramethyl-10-phenylphenazin-10-ium-2,8-diamine;iodide
InChI:
InChI=1S/C22H23N4.HI/c1-24(2)17-10-12-19-21(14-17)26(16-8-6-5-7-9-16)22-15-18(25(3)4)11-13-20(22)23-19;/h5-15H,1-4H3;1H/q+1;/p-1
InChI Key:
ATJFOPLNBXYDLF-UHFFFAOYSA-M
SMILES:
CN(c1ccc2c(c1)[n+](c1ccccc1)c1c(n2)ccc(c1)N(C)C)C.[I-]
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.097g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
470.358g/mol
Monoisotopic Mass:
470.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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