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Octaethylporphyrin

CAT: 0013-GTR19201775-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201775-01Size:25 mg
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Description
Octaethylporphyrin
CAS Number
2683-82-1
Field of Research
Immunology & Inflammation, Metabolism Research, Signal Transduction
Smiles
CCc1c (CC) c2cc3[nH]c (cc4nc (cc5[nH]c (cc1n2) c (CC) c5CC) c (CC) c4CC) c (CC) c3CC
Molecular Formula
C36H46N4
Molecular Weight
534.79
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine

Octaethylporphyrin is a member of porphyrins.

CAS Number2683-82-1
PubChem CID102311
IUPAC Name2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin
Molecular FormulaC36H46N4
Molecular Weight534.8
XLogP8.5
Topological Polar Surface Area57.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count40
Formal Charge0
Complexity725
SMILES
CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CC)CC)C(=C4CC)CC)C(=C3CC)CC)CC
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
InChIKey
XFIIGRBIXXECHR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine
CAS: 2683-82-1
CID: 102311
Formula: C36H46N4
MW: 534.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight534.8
XLogP38.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass534.37224748
Monoisotopic Mass534.37224748
Topological Polar Surface Area57.4 Ų
Heavy Atom Count40
Formal Charge0
Complexity725
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-116525-01Octaethylporphyrin
HY-W392514-01Nickel octaethylporphyrin
IN13077-01Palladium octaethylporphyrin
FO60853-012,3,7,8,12,13,17,18-Octaethylporphyrin
AS SA 0079-01Nickel (2+) ;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide

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