| CAS Number | 129051-18-9 |
| Catalog Number | AG009DEP(AGN-PC-00P1DJ) |
| Chemical Name | meso-Tetra (N-Methyl-2-pyridyl) Porphine Tetrachloride |
| IUPAC Name | 5,10,15,20-tetrakis(1-methylpyridin-1-ium-2-yl)-21,23-dihydroporphyrin;tetrachloride |
| InChI | InChI=1S/C44H37N8.4ClH/c1-49-25-9-5-13-37(49)41-29-17-19-31(45-29)42(38-14-6-10-26-50(38)2)33-21-23-35(47-33)44(40-16-8-12-28-52(40)4)36-24-22-34(48-36)43(32-20-18-30(41)46-32)39-15-7-11-27-51(39)3;;;;/h5-28H,1-4H3,(H,45,46,47,48);4*1H/q+3;;;;/p-3 |
| InChI Key | OSIOZWNIFANUES-UHFFFAOYSA-K |
| MDL Number | MFCD06411460 |
| Molecular Formula | C44H38Cl4N8 |
| Molecular Weight | 820.6381 |
| SMILES | C[N+]1C(C2C3NC(=CC=3)C(C3[N+](C)=CC=CC=3)=C3C=CC(=N3)C(C3[N+](C)=CC=CC=3)=C3NC(C=C3)=C(C3[N+](C)=CC=CC=3)C3=NC=2C=C3)=CC=CC=1.[Cl-].[Cl-].[Cl-].[Cl-] |
| Synonyms | 129051-18-9,
2,2',2'',2'''-(5,10,15,20-Porphyrintetrayl)tetrakis(1-methylpyrid inium) tetrachloride,
meso-Tetra (N-methyl-2-pyridyl) porphine tetrachloride,
2,2',2'',2'''-(5,10,15,20-Porphyrintetrayl)tetrakis(1-methyl,
5,10,15,20-Tetrakis(1-methylpyridin-1-ium-2-yl)-21,23-dihydroporphyrin;tetrachloride,
|
| Complexity | 997 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 5 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 820.194404g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 56 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 820.6g/mol |
| Monoisotopic Mass | 818.197354g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number