AG003FFW

2683-82-1 | 2,3,7,8,12,13,17,18-Octaethyl-21h,23h-porphine

AG003FFW

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CAS Number	2683-82-1
Catalog Number	AG003FFW(AGN-PC-0O8GGW)
Chemical Name	2,3,7,8,12,13,17,18-Octaethyl-21h,23h-porphine
EC Number	220-243-8
IUPAC Name	2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin
InChI	InChI=1S/C36H46N4/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30/h17-20,37-38H,9-16H2,1-8H3
InChI Key	XFIIGRBIXXECHR-UHFFFAOYSA-N
MDL Number	MFCD00009627
Molecular Formula	C36H46N4
Molecular Weight	534.7772
SMILES	CCC1=C(CC)C2=NC1=CC3=C(CC)C(CC)=C(N3)C=C4C(CC)=C(CC)C(C=C5C(CC)=C(CC)C(N5)=C2)=N4
Synonyms	octaethylporphyrin, Octaethylporphine, 2683-82-1, Octaethylporphyrin, 2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine, 2,3,7,8,12,13,17,18-octaethylporphyrin, Octaethylpophine, 21H,23H-Porphine, 2,3,7,8,12,13,17,18-octaethyl-, Octaethylporphyrine, MFCD00009627, 2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphin, EINECS 220-243-8, ACMC-209gte, AC1L2SKM, AC1Q4XV0, SCHEMBL37749, SCHEMBL1614478, DTXSID2062589, CHEBI:52183, HCIIFBHDBOCSAF-MUZKIALCSA-N, HCIIFBHDBOCSAF-UHFFFAOYSA-N, ANW-26064, SBB008861, AKOS015838612, MCULE-7015842004, RTR-012095, KS-000014M9, AK165165, SC-23848, TR-012095, FT-0082151, FT-0602009, O0234, ST50307143, 2-3-7-8-12-13-17-18-(octaethyl)porphyrin, C-23122, J-016569, I14-47969, 2,3,7,8,12,13,17,18-Octaethyl-21H,22H-porphyrin, 2,3,7,8,12,13,17,18-octaethyl-21h,23-h-porphine, 2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin, 2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine, 97%, 4,5,9,10,14,15,19,20-octaethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1<3,6>.1< 8,11>.1<13,16>]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaene, 4,5,9,10,14,15,19,20-octaethyl-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-undecaene, C36H46N4, AR-1D2227, CID102311, C36-H46-N4, Porphine, 2,3,7,8,12,13,17,18-octaethyl-, 2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine, 98% - 1G 1g, 6311-06-4,

Complexity	725
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	534.372g/mol
Formal Charge	0
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	534.792g/mol
Monoisotopic Mass	534.372g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	57.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	8.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number