| CAS Number | 92739-63-4 |
| Catalog Number | AG00GUT9(AGN-PC-0NDYU4) |
| Chemical Name | 5,10,15,20-TETRAKIS-(N-METHYL-4-PYRIDYL)-21,23H-PORPHYRIN TETRACHLORIDE |
| IUPAC Name | 5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin;tetrachloride |
| InChI | InChI=1S/C44H37N8.4ClH/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;;;;/h5-28H,1-4H3,(H,45,46,47,48);4*1H/q+3;;;;/p-3 |
| InChI Key | QAJDBICYDICFCM-UHFFFAOYSA-K |
| MDL Number | MFCD09039048 |
| Molecular Formula | C44H38Cl4N8 |
| Molecular Weight | 820.6381 |
| SMILES | [Cl-].[Cl-].[Cl-].[Cl-].C[N+]1=CC=C(C=C1)C=1C2=CC=C(N2)C(=C2C=CC(C(=C3C=CC(=C(C=4C=CC1N4)C4=CC=[N+](C=C4)C)N3)C3=CC=[N+](C=C3)C)=N2)C2=CC=[N+](C=C2)C |
| Synonyms | 92739-63-4,
5,10,15,20-Tetrakis(N-methyl-4-pyridyl)-21,23H-porphyrin tetrachloride,
TMPYP4 CHLORIDE,
tetrakis(N-methylpyridinium-4-yl)porphine tetrachloride,
5-10-15-20-(tetra-N-methyl-4-pyridyl)porphyrin tetrachloride,
CHEMBL337559,
5,10,15,20-TETRAKIS-(N-METHYL-4-PYRIDYL)-21,23H-PORPHYRIN TETRACHLORIDE,
|
| Complexity | 965 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 5 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 820.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 56 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 820.644g/mol |
| Monoisotopic Mass | 818.197g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number