AG00C15A

22112-84-1 | 5,10,15,20-Tetrakis(4-Aminophenyl)-21H,23H-Porphine

AG00C15A

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CAS Number	22112-84-1
Catalog Number	AG00C15A(AGN-PC-0QYRAJ)
Chemical Name	5,10,15,20-Tetrakis(4-Aminophenyl)-21H,23H-Porphine
IUPAC Name	4-[10,15,20-tris(4-aminophenyl)-21,23-dihydroporphyrin-5-yl]aniline
InChI	InChI=1S/C44H34N8/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27/h1-24,49,52H,45-48H2
InChI Key	REPFNYFEIOZRLM-UHFFFAOYSA-N
MDL Number	MFCD00191497
Molecular Formula	C44H34N8
Molecular Weight	674.7944
SMILES	NC1=CC=C(C=C1)C=1C2=CC=C(N2)C(=C2C=CC(C(=C3C=CC(=C(C=4C=CC1N4)C4=CC=C(C=C4)N)N3)C3=CC=C(C=C3)N)=N2)C2=CC=C(C=C2)N
Synonyms	5,10,15,20-tetra(p-aminophenyl)porphyrin, tetra-(4-aminophenyl)porphine, tetra-(4-aminophenyl)porphyrin, tetra-(p-aminophenyl)porphyrin, TPAPP, 22112-84-1, 5,10,15,20-Tetrakis(4-aminophenyl)-21H,23H-porphine, 5,10,15,20-Tetrakis(4-aminophenyl)porphyrin, Benzenamine, 4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-, Benzenamine,4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-, TPAPP, ACMC-1CIOA, Tetra(p-aminophenyl)porphyrin, tetra-(4-aminophenyl)porphyrin, CHEMBL376444, SCHEMBL3424111, Tetrakis(4-aminophenyl)porphyrin, CTK4E8631, BCP18711, C44H34N8, KS-000017BC, 1207AB, ANW-24725, DD-047, MFCD00191497, STK526642, AKOS005459965, MCULE-9323404942, ACM22112841, AK102897, BAS 00338006, TR-032161, 5,10,15,20-tetra(4-aminophenyl)porphyrin, 5-10-15-20-(tetra-4-aminophenyl)porphyrin, J-014512, I14-59390, 4-[(5Z,10Z,14Z,19Z)-10,15,20-tris(4-aminophenyl)-21,23-dihydroporphyrin-5-yl]aniline, 4-[7,12,17-Tris(4-aminophenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1<3,6>.1<8,11>.1<13,16>]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl]phenylamine, meso-Tetra(4-aminophenyl) porphine, T1494, 5,10,15,20-TETRAKIS -21H,23H-PORPHINE, 4,4',4'',4'''-porphyrin-5,10,15,20-tetrayltetraaniline, 4-[10,15,20-tris(4-aminophenyl)-21,24-dihydroporphyrin-5-yl]aniline, 5,10,15,20-Tetrakis(4-aminophenyl)-21H,23H-porphine, 95% - 1G 1g,

Complexity	965
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	674.291g/mol
Formal Charge	0
Heavy Atom Count	52
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	674.812g/mol
Monoisotopic Mass	674.291g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	161A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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