Protoporphyrin IX dimethyl ester

Catalog Number

ACM5522667-2

CAS

5522-66-7

Structure

Synonyms

Dimethyl8,13-divinyl-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate

IUPAC Name

Methyl3-[8,13-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate

Molecular Weight

590.71

Molecular Formula

C36H38N404

Canonical SMILES

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)C=C

InChI

InChI=1S/C36H38N4O4/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27/h9-10,15-18,37-38H,1-2,11-14H2,3-8H3

InChI Key

LQBPATQBTSBIIH-UHFFFAOYSA-N

Boiling Point

1017.0 ± 65.0 °C

Melting Point

225 - 228 °C

Purity

95%

Density

1.220 ± 0.06 g/ml

Appearance

Magenta solid

Storage

2 - 8 °C

• Catalog Number: ACM5522667-2
• CAS: 5522-66-7
• Synonyms: Dimethyl8,13-divinyl-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate
• IUPAC Name: Methyl3-[8,13-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
• Molecular Weight: 590.71
• Molecular Formula: C36H38N404
• Canonical SMILES: CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)C=C
• InChI: InChI=1S/C36H38N4O4/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27/h9-10,15-18,37-38H,1-2,11-14H2,3-8H3
• InChI Key: LQBPATQBTSBIIH-UHFFFAOYSA-N
• Boiling Point: 1017.0 ± 65.0 °C
• Melting Point: 225 - 228 °C
• Purity: 95%
• Density: 1.220 ± 0.06 g/ml
• Appearance: Magenta solid
• Storage: 2 - 8 °C