CAS 24803-99-4 2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine nickel(II)

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2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine nickel(II)

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Catalog Number

ACM24803994-4

CAS Number

24803-99-4

Product Name

2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine nickel(II)

Structure

Category

Other Materials

Synonyms

Nickel(2+);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide

IUPAC Name

nickel(2+);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide

Molecular Weight

591.5

Molecular Formula

C36H44N4Ni

Canonical SMILES

CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)C(=C3CC)CC)CC.[Ni+2]

InChI

InChI=1S/C36H44N4.Ni/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;/h17-20H,9-16H2,1-8H3;/q-2;+2

InChI Key

DIGQQRGHPATISA-UHFFFAOYSA-N

Melting Point

>300 °C

Purity

98%

Storage

room temperature

Complexity

1150

Covalently-Bonded Unit Count

Exact Mass

590.291939

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Monoisotopic Mass

590.291939

Rotatable Bond Count

Topological Polar Surface Area

26.7 Å²

MSDS

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COA

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Spec Sheet

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