Diethyl 5,5'-methylenebis(4-ethyl-3-methyl-2-pyrrolecarboxylate) - CAS 6305-93-7
Catalog: |
BB031970 |
Product Name: |
Diethyl 5,5'-methylenebis(4-ethyl-3-methyl-2-pyrrolecarboxylate) |
CAS: |
6305-93-7 |
Synonyms: |
ethyl 5-[(5-ethoxycarbonyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate |
IUPAC Name: | ethyl 5-[(5-ethoxycarbonyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate |
Description: | Diethyl 5,5'-methylenebis(4-ethyl-3-methyl-2-pyrrolecarboxylate) (CAS# 6305-93-7) is a useful research chemical compound. |
Molecular Weight: | 374.47 |
Molecular Formula: | C21H30N2O4 |
Canonical SMILES: | CCC1=C(NC(=C1C)C(=O)OCC)CC2=C(C(=C(N2)C(=O)OCC)C)CC |
InChI: | InChI=1S/C21H30N2O4/c1-7-14-12(5)18(20(24)26-9-3)22-16(14)11-17-15(8-2)13(6)19(23-17)21(25)27-10-4/h22-23H,7-11H2,1-6H3 |
InChI Key: | BPMQEODKNZPRMH-UHFFFAOYSA-N |
Boiling Point: | 524.6 °C at 760 mmHg |
Density: | 1.126 g/cm3 |
MDL: | MFCD00111569 |
LogP: | 4.02860 |
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 |
Publication Number | Title | Priority Date |
WO-2016176450-A1 | Tambjamines and b-ring functionalized prodiginines | 20150430 |
US-6969764-B2 | Optical recording medium and novel azaporphyrin compounds | 19991228 |
Complexity: | 468 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 374.22055744 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 374.22055744 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 84.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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Related Functional Groups
Pyrroles
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