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Cas Database |
| Name |
5,10,15,20-Tetrakis(N-methyl-4-pyridyl)porphine tetratosylate |
EINECS | N/A |
| CAS No. | 36951-72-1 | Density | N/A |
| PSA | 334.14000 | LogP | 10.08380 |
| Solubility | N/A | Melting Point |
>300℃ |
| Formula | C72H66N8O12S4 | Boiling Point | N/A |
| Molecular Weight | 1363.63 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37 | Risk Codes | 36/37/38 |
| Molecular Structure |
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Hazard Symbols |
 Xi
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| Synonyms |
4,4',4'',4'''-Porphyrin-5,10,15,20-tetrayltetrakis(1-methylpyridinium) tetrakis(4-methylbenzenesulfonate);4-Methylbenzenesulfonate; 5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin; |
Article Data | 3 |
5,10,15,20-Tetrakis(N-methyl-4-pyridyl)porphine tetratosylate Specification
The TMPYP, with the CAS registry number 3695-24-7 and EINECS registry number 36951-72-1, has the systematic name of 4,4',4'',4'''-porphyrin-5,10,15,20-tetrayltetrakis(1-methylpyridinium) tetrakis(4-methylbenzenesulfonate). And the molecular formula of the chemical is C72H66N8O12S4.
The characteristics of TMPYP are as followings: (1)ACD/LogP: -2.64; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 8; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 51.16 Å2.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing and gloves, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-]S(=O)(=O)c1ccc(cc1)C.[O-]S(=O)(=O)c1ccc(cc1)C.[O-]S(=O)(=O)c1ccc(cc1)C.[O-]S(=O)(=O)c1ccc(cc1)C.n1c6/C=C\c1c(c2cc[n+](cc2)C)c9nc(c(c7nc(c(c3cc[n+](cc3)C)c\4nc(/C=C/4)c6c5cc[n+](cc5)C)cc7)c8cc[n+]( cc8)C)cc9
(2)InChI: InChI=1/C44H37N8.4C7H8O3S/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;4*1-6-2-4-7(5-3-6)11(8,9)10/h5-28H,1-4H3,(H,45,46,47,48);4*2-5H,1H3,(H,8,9,10)/q+3;;;;/p-3/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;;;
(3)InChIKey: AKZFRMNXBLFDNN-ROWBUYHQBM
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