3-Hydroxypropenal tetrabutylammonium salt - CAS 100683-54-3
Catalog: |
BB000293 |
Product Name: |
3-Hydroxypropenal tetrabutylammonium salt |
CAS: |
100683-54-3 |
Synonyms: |
1-Butanaminium, N,N,N-tributyl-, salt with (E)-3-hydroxy-2-propenal (1:1); 2-Propenal, 3-hydroxy-, ion(1-), (E)-, N,N,N-tributyl-1-butanaminium; N,N,N-Tributyl-1-butanaminium salt with (E)-3-hydroxy-2-propenal (1:1); β-Hydroxyacrolein tetrabutylammonium salt |
Related CAS: | 10549-76-5 (Tetrabutylammonium)
|
IUPAC Name: | (E)-3-oxoprop-1-en-1-olate;tetrabutylazanium |
Description: | 3-Hydroxypropenal tetrabutylammonium salt, a compound known for its intriguing molecular structure, is utilized within the biomedical industry. Its application lies in the examination of its efficacy as an antitumor agent targeting the malignant growth of prostate cancer cells, showcasing significant potential for therapeutic intervention in oncological research. |
Molecular Weight: | 313.52 |
Molecular Formula: | C19H39NO2 |
Canonical SMILES: | CCCC[N+](CCCC)(CCCC)CCCC.C(=C[O-])C=O |
InChI: | InChI=1S/C16H36N.C3H4O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;4-2-1-3-5/h5-16H2,1-4H3;1-4H/q+1;/p-1/b;2-1+ |
InChI Key: | GFXLQCGVBUWBHF-WLHGVMLRSA-M |
Melting Point: | 126-129°C |
Purity: | ≥95% |
Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly) |
Appearance: | White to Off-white Solid |
Storage: | Store at -20°C |
LogP: | 5.13310 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
19338137 | 20090101 | Effects of alpha-lipoic acid administration on plasma glucose levels, total malondialdehyde values and withdrawal signs in rats treated with morphine or morphine plus naloxone | Arzneimittel-Forschung |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 313.298079487 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 313.298079487 |
Rotatable Bond Count: | 13 |
Topological Polar Surface Area: | 40.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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