1,1'-Diethyl-[4,4'-bipyridine]-1,1'-Diium Iodide - CAS 1983-61-5
Catalog: |
BB015336 |
Product Name: |
1,1'-Diethyl-[4,4'-bipyridine]-1,1'-Diium Iodide |
CAS: |
1983-61-5 |
Synonyms: |
1-ethyl-4-(1-ethyl-4-pyridin-1-iumyl)pyridin-1-ium;diiodide; 1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;diiodide |
IUPAC Name: | 1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;diiodide |
Description: | 1,1'-Diethyl-[4,4'-bipyridine]-1,1'-Diium Iodide (CAS# 1983-61-5 ) is a useful research chemical. |
Molecular Weight: | 468.12 |
Molecular Formula: | C14H18I2N2 |
Canonical SMILES: | CC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CC.[I-].[I-] |
InChI: | InChI=1S/C14H18N2.2HI/c1-3-15-9-5-13(6-10-15)14-7-11-16(4-2)12-8-14;;/h5-12H,3-4H2,1-2H3;2*1H/q+2;;/p-2 |
InChI Key: | ZXBJDSANDCPCLD-UHFFFAOYSA-L |
MDL: | MFCD00799539 |
LogP: | -4.02360 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
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Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 467.95594 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 467.95594 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 7.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Pyridines
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