Ethyl nicotinate - CAS 614-18-6
Catalog: |
BB031096 |
Product Name: |
Ethyl nicotinate |
CAS: |
614-18-6 |
Synonyms: |
ethyl pyridine-3-carboxylate |
IUPAC Name: | ethyl pyridine-3-carboxylate |
Description: | A nicotinic acid derivative used for skin-conditioning cosmetics. |
Molecular Weight: | 151.16 |
Molecular Formula: | C8H9NO2 |
Canonical SMILES: | CCOC(=O)C1=CN=CC=C1 |
InChI: | InChI=1S/C8H9NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3 |
InChI Key: | XBLVHTDFJBKJLG-UHFFFAOYSA-N |
Boiling Point: | 223-224 °C |
Melting Point: | 8-9.5°C |
Flash Point: | 93°C |
Purity: | 99 % |
Density: | 1.102 g/cm3 |
Solubility: | water, 5594 mg/L @ 25 °C (est) |
Appearance: | Clear colorless to light brown liquid |
Storage: | 2-8°C |
MDL: | MFCD00006389 |
LogP: | 1.25830 |
Refractive Index: | 1.5019-1.504 |
Stability: | Stable under normal temperatures and pressures. |
GHS Hazard Statement: | H319 (90.39%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021092919-A1 | Nicotinamide mononucleotide intermediate and method for synthesizing nicotinamide mononucleotide | 20191115 |
WO-2021080330-A1 | Nicotinamide compound and herbicidal composition comprising compound | 20191021 |
WO-2021072140-A1 | Prodrugs of myeloperoxidase inhibitors | 20191010 |
WO-2021059568-A1 | Ink, method for producing said ink, and temperature indicator using said ink | 20190925 |
WO-2021030379-A1 | Bicyclic heteroaryl compounds useful as irak4 inhibitors | 20190813 |
PMID | Publication Date | Title | Journal |
22259327 | 20120101 | Chloridobis(dimethyl-glyoximato-κN,N')(ethyl pyridine-3-carboxyl-ate-κN)cobalt(III) | Acta crystallographica. Section E, Structure reports online |
21335037 | 20110501 | Development of a method to investigate the hydrolysis of xenobiotic esters by a Mycobacterium smegmatis homogenate | Journal of microbiological methods |
21589255 | 20101113 | Tetra-aqua-diazido-cobalt(II) 3,3'-dicarb-oxy-l-ato-1,1'-ethyl-enedipyridinium | Acta crystallographica. Section E, Structure reports online |
20630629 | 20100901 | Pharmacological evaluation and characterizations of newly synthesized 1,2,4-triazoles | European journal of medicinal chemistry |
20534157 | 20100609 | Naturally occurring nanoparticles from English ivy: an alternative to metal-based nanoparticles for UV protection | Journal of nanobiotechnology |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.063328530 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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