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59728-91-5 | tetra(3-N-methylpyridyl)porphine
CAS No: 59728-91-5 Catalog No: AG00F2H4 MDL No:
Product Description
Catalog Number:
AG00F2H4
Chemical Name:
tetra(3-N-methylpyridyl)porphine
CAS Number:
59728-91-5
IUPAC Name:
5,10,15,20-tetrakis(1-methylpyridin-1-ium-3-yl)-21,23-dihydroporphyrin
InChI:
InChI=1S/C44H38N8/c1-49-21-5-9-29(25-49)41-33-13-15-35(45-33)42(30-10-6-22-50(2)26-30)37-17-19-39(47-37)44(32-12-8-24-52(4)28-32)40-20-18-38(48-40)43(36-16-14-34(41)46-36)31-11-7-23-51(3)27-31/h5-28,45,48H,1-4H3/q+4
InChI Key:
JPPCDPGSXNYZST-UHFFFAOYSA-N
Properties
Complexity:
997
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
678.322g/mol
Formal Charge:
4
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
678.844g/mol
Monoisotopic Mass:
678.322g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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