Name: TMPYP
SKU: 36951-72-1

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Basic Information

Molecular Structure:
CAS No.:	36951-72-1
Name:	TMPYP
Article Data:	3

Formula:	C₇₂H₆₆N₈O₁₂S₄
Molecular Weight:	1363.63
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;
Melting Point:	>300℃
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37
PSA:	334.14000
LogP:	10.08380

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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