7-Diethylamino-4-methylcoumarin - CAS 91-44-1
Catalog: |
BB040195 |
Product Name: |
7-Diethylamino-4-methylcoumarin |
CAS: |
91-44-1 |
Synonyms: |
Coumarin 1;7-(diethylamino)-4-methyl-1-benzopyran-2-one; 7-(diethylamino)-4-methylchromen-2-one |
IUPAC Name: | 7-(diethylamino)-4-methylchromen-2-one |
Description: | 7-Diethylamino-4-methylcoumarin (CAS# 91-44-1) is a useful research chemical compound. |
Molecular Weight: | 231.29 |
Molecular Formula: | C14H17NO2 |
Canonical SMILES: | CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C |
InChI: | InChI=1S/C14H17NO2/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11/h6-9H,4-5H2,1-3H3 |
InChI Key: | AFYCEAFSNDLKSX-UHFFFAOYSA-N |
Boiling Point: | 240 ℃ / 6.5 mmHg |
Melting Point: | 154 to 162 °F |
Density: | 1.122 g/cm3 |
Solubility: | Slightly soluble in hot solvent |
Appearance: | Crystals from alcohol & benzene-petroleum ether |
Storage: | 24 months after receival at -20°C in the dark. Transportation: at room temperature for up to 3 weeks. Avoid prolonged exposure to light. |
MDL: | MFCD00006864 |
Emission: | 445 |
Excitation: | 375 |
LogP: | 2.94760 |
GHS Hazard Statement: | H312 (77.46%): Harmful in contact with skin [Warning Acute toxicity, dermal] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P332+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
31442592 | 20191001 | Environmental chemicals differentially affect epigenetic-related mechanisms in the zebrafish liver (ZF-L) cell line and in zebrafish embryos | Aquatic toxicology (Amsterdam, Netherlands) |
28478275 | 20170615 | Identifying environmental chemicals as agonists of the androgen receptor by using a quantitative high-throughput screening platform | Toxicology |
21538407 | 20120901 | Effect of fluorescent whitening agent on the transcription of cell damage-related genes in zebrafish embryos | Journal of applied toxicology : JAT |
22897408 | 20120901 | Randomized controlled study on the use of multiple-dose activated charcoal in patients with supratherapeutic phenytoin levels | Clinical toxicology (Philadelphia, Pa.) |
22947088 | 20120901 | Spectroscopic interaction of a coumarin derivative with bovine serum albumin | Cancer biotherapy & radiopharmaceuticals |
Complexity: | 320 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.125928785 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.125928785 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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