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

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

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Catalog Number

ACM2683821-1

CAS Number

2683-82-1

Product Name

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

Structure

Category

Other Materials

Synonyms

Octaethylporphine

IUPAC Name

2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin

Molecular Weight

534.78

Molecular Formula

C36H46N4

Canonical 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

XFIIGRBIXXECHR-UHFFFAOYSA-N

InChI Key

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

Melting Point

322 °C

Purity

97%

Appearance

Atropurpureus solid

Complexity

725

Covalently-Bonded Unit Count

EC Number

220-243-8

Exact Mass

534.37224748

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

MeSH Entry Terms

octaethylporphyrin

Monoisotopic Mass

534.37224748

Rotatable Bond Count

Topological Polar Surface Area

57.4 Å²

XLogP3

8.5

MSDS

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COA

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Spec Sheet

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