Bilirubin hemetoidin Cholerythrin
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Name |
Bilirubin |
EINECS | 211-239-7 |
CAS No. | 635-65-4 | Density | 1.374 g/cm3 |
Solubility | practically insoluble in water | Melting Point | 192 °C |
Formula | C33H36N4O6 | Boiling Point | 925.157 °C at 760 mmHg |
Molecular Weight | 584.73 | Flash Point | 513.317 °C |
Transport Information | Appearance | Light orange to deep redish-brown crystalline solid | |
Safety | 22-24/25-36-26 | Risk Codes | 62-36/37/38-20/21/22 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
Molecule structure of Bilirubin (CAS NO.635-65-4) :
IUPAC Name: 3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic
acid
Molecular Weight: 584.66214 g/mol
Molecular Formula: C33H36N4O6
Density: 1.374 g/cm3
Melting Point: 192 °C
Boiling Point: 925.2 °C at 760 mmHg
Flash Point: 513.3 °C
Molar Volume: 425.3 cm3
Polarizability: 66.74*10-24 cm3
Surface Tension: 74.5 dyne/cm
Enthalpy of Vaporization: 140.96 kJ/mol
Storage temp.: −20 °C
Appreance: light orange to deep redish-brown crystalline solid
Merck: 14.1218
XLogP3-AA: 2.9
H-Bond Donor: 6
H-Bond Acceptor: 6
Rotatable Bond Count: 12
Tautomer Count: 25
Exact Mass: 584.263485
MonoIsotopic Mass: 584.263485
Topological Polar Surface Area: 164
Heavy Atom Count: 43
Complexity: 1340
Canonical SMILES: CC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)C=
C4C(=C(C(=O)N4)C=C)C
Isomeric SMILES: CC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)/C=C\3/C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)
/C=C\4/C(=C(C(=O)N4)C=C)C
InChI: InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-
InChIKey: BPYKTIZUTYGOLE-IFADSCNNSA-N
EINECS: 211-239-7
Product Categories: Colours, Dyes, Indicators & Pigments; Bile Pigments; Porphyrins; Antioxidant; Biochemistry; Intermediates & Fine Chemicals; Pharmaceuticals; Antioxidants and CytoprotectantsPlasma&Blood Proteins; BilirubinResearch Essentials; Enzyme InhibitorsApplication Index; Cell Stress; Core Bioreagents; Nitric Oxide and Cell Stress; Plasma, Blood, and Related Proteins and Reagents; Serum Proteins; Serum Proteins and Related Enzymes
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