Tetraethyl 1,1'-ethylenebis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate) - CAS 131970-78-0
Catalog: |
BB007525 |
Product Name: |
Tetraethyl 1,1'-ethylenebis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate) |
CAS: |
131970-78-0 |
Synonyms: |
diethyl 1-[2-[3,4-bis(ethoxycarbonyl)-2,5-dimethylpyrrol-1-yl]ethyl]-2,5-dimethylpyrrole-3,4-dicarboxylate |
IUPAC Name: | diethyl 1-[2-[3,4-bis(ethoxycarbonyl)-2,5-dimethylpyrrol-1-yl]ethyl]-2,5-dimethylpyrrole-3,4-dicarboxylate |
Description: | Tetraethyl 1,1'-ethylenebis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate) (CAS# 131970-78-0 ) is a useful research chemical. |
Molecular Weight: | 504.57 |
Molecular Formula: | C26H36N2O8 |
Canonical SMILES: | CCOC(=O)C1=C(N(C(=C1C(=O)OCC)C)CCN2C(=C(C(=C2C)C(=O)OCC)C(=O)OCC)C)C |
InChI: | InChI=1S/C26H36N2O8/c1-9-33-23(29)19-15(5)27(16(6)20(19)24(30)34-10-2)13-14-28-17(7)21(25(31)35-11-3)22(18(28)8)26(32)36-12-4/h9-14H2,1-8H3 |
InChI Key: | LPSVSMWQRIEQQY-UHFFFAOYSA-N |
Boiling Point: | 577 °C at 760 mmHg |
Density: | 1.19 g/cm3 |
MDL: | MFCD00274281 |
LogP: | 3.93020 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
PMID | Publication Date | Title | Journal |
21589360 | 20101106 | Tetra-ethyl 1,1'-(ethane-1,2-di-yl)bis-(2,5-dimethyl-1H-pyrrole-3,4-dicarboxyl-ate) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 666 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 504.24716611 |
Formal Charge: | 0 |
Heavy Atom Count: | 36 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 504.24716611 |
Rotatable Bond Count: | 15 |
Topological Polar Surface Area: | 115 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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