1-Ethyl-4-(methoxycarbonyl)pyridinium iodide - CAS 1199-65-1
Catalog: |
BB004690 |
Product Name: |
1-Ethyl-4-(methoxycarbonyl)pyridinium iodide |
CAS: |
1199-65-1 |
Synonyms: |
methyl 1-ethylpyridin-1-ium-4-carboxylate;iodide |
IUPAC Name: | methyl 1-ethylpyridin-1-ium-4-carboxylate;iodide |
Description: | 1-Ethyl-4-(methoxycarbonyl)pyridinium iodide (CAS# 1199-65-1) is a useful research chemical compound. |
Molecular Weight: | 293.10 |
Molecular Formula: | C9H12INO2 |
Canonical SMILES: | CC[N+]1=CC=C(C=C1)C(=O)OC.[I-] |
InChI: | InChI=1S/C9H12NO2.HI/c1-3-10-6-4-8(5-7-10)9(11)12-2;/h4-7H,3H2,1-2H3;1H/q+1;/p-1 |
InChI Key: | NGEAJXXGUZQCPN-UHFFFAOYSA-M |
Melting Point: | 114-116 °C |
Purity: | > 97.0 % (T) |
Appearance: | Orange crystalline powder |
Storage: | Keep in dark place, Inert atmosphere, Room temperature |
MDL: | MFCD00011996 |
LogP: | -2.21540 |
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 |
US-2019353597-A1 | Portable liquid analyzer | 20180517 |
US-10942126-B2 | Portable liquid analyzer | 20180517 |
EP-3583225-A1 | Detection of drug resistance of microorganisms | 20170301 |
US-2018252701-A1 | Detection of drug resistance of microorganisms | 20170301 |
WO-2018160668-A1 | Detection of drug resistance of microorganisms | 20170301 |
PMID | Publication Date | Title | Journal |
17020360 | 20061012 | Coherent electronic and nuclear dynamics for charge transfer in 1-ethyl-4-(carbomethoxy)pyridinium iodide | The journal of physical chemistry. B |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 292.99128 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 292.99128 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 30.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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