Coproporphyrin III supplier | CasNO.14643-66-4

Name
COPROPORPHYRIN III DIHYDROCHLORIDE
EINECS 273-142-6
CAS No. 14643-66-4
Article Data22
CAS DataBase
Density 1.366 g/cm³
Solubility Soluble in water
Melting Point
Formula C₃₆H₃₈N₄O₈
Boiling Point 1258 °C at 760 mmHg
Molecular Weight 654.72
Flash Point 714.6 °C
Transport Information
Appearance purple xtl
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,7,12,18-Porphinetetrapropionicacid, 3,8,13,17-tetramethyl- (8CI);3,3',3'',3'''-(3,8,13,17-Tetramethylporphyrin-2,7,12,18-tetrayl)tetrapropanoic acid;3-[8,13,18-tris(2-Carboxyethyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoic acid;21H,23H-Porphine-2,7,12,18-tetrapropanoicacid, 3,8,13,17-tetramethyl-;
PSA 205.50000
LogP 4.69760

Coproporphyrin III Specification

The Coproporphyrin III, with the CAS registry number 14643-66-4, is also known as 3,3',3'',3'''-(3,8,13,17-Tetramethylporphyrin-2,7,12,18-tetrayl)tetrapropanoic acid. Its EINECS number is 273-142-6. This chemical's molecular formula is C₃₆H₃₈N₄O₈and molecular weight is 654.71. What's more, its IUPAC name is 3-[8,13,18-tris(2-carboxyethyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoic acid.

Physical properties of Coproporphyrin III are: (1)ACD/LogP: 5.75; (2)# of Rule of 5 Violations: 4; (3)#H bond acceptors: 12; (4)#H bond donors: 6; (5)#Freely Rotating Bonds: 12; (6)Polar Surface Area: 206.56 Å²; (7)Index of Refraction: 1.638; (8)Molar Refractivity: 172.17 cm³; (9)Molar Volume: 479 cm³; (10)Polarizability: 68.25×10^-24cm³; (11)Surface Tension: 68.7 dyne/cm; (12)Density: 1.366 g/cm³; (13)Flash Point: 714.6 °C; (14)Enthalpy of Vaporization: 196.73 kJ/mol; (15)Boiling Point: 1258 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)CCC(=O)O
(2)InChI: InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h13-16,38,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)
(3)InChIKey: XNBNKCLBGTWWSD-UHFFFAOYSA-N

Product Name

COPROPORPHYRIN III DIHYDROCHLORIDE

Coproporphyrin III Specification

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