7-Diethylamino-4-methylcoumarin

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7-Diethylamino-4-methylcoumarin

7-Diethylamino-4-methylcoumarin | 91-44-1

Catelog Number F06-0006
Category Coumarin
Molecular Formula C14H17NO2
Molecular Weight 231.29
Catalog Number Size Price Quantity
F06-0006 -- $--

Product Introduction

7-Diethylamino-4-methylcoumarin (CAS# 91-44-1) is a useful research chemical compound.

Chemical Information

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
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
Solubility Slightly soluble in hot solvent
Density 1.122 g/cm3
Appearance Crystals from alcohol & benzene-petroleum ether
Boiling Point 240 ℃ / 6.5 mmHg
Melting Point 154 to 162 °F
LogP 2.94760

Product Specification

Excitation 375
Emission 445
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.
Signal Warning
GHS Hazard Statements H312 (84.64%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (86.29%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (87.39%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (84.64%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (85.56%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H411 (11.15%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.)

Computed Properties

Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 231.125928785 g/mol
Monoisotopic Mass 231.125928785 g/mol
Topological Polar Surface Area 29.5Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 320
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

Literatures

PMIDPublication DateTitleJournal
35435491 2022-07-01 Identification of environmental chemicals that activate p53 signaling after in vitro metabolic activation Archives of toxicology
31442592 2019-10-01 Environmental chemicals differentially affect epigenetic-related mechanisms in the zebrafish liver (ZF-L) cell line and in zebrafish embryos Aquatic toxicology (Amsterdam, Netherlands)
28478275 2017-06-15 Identifying environmental chemicals as agonists of the androgen receptor by using a quantitative high-throughput screening platform Toxicology
21538407 2012-09-01 Effect of fluorescent whitening agent on the transcription of cell damage-related genes in zebrafish embryos Journal of applied toxicology : JAT
22947088 2012-09-01 Spectroscopic interaction of a coumarin derivative with bovine serum albumin Cancer biotherapy & radiopharmaceuticals

Patents

Publication NumberTitlePriority Date
CN-115149948-A A Pipelined SAR ADC with High Linearity 2022-07-15
CN-114844506-A A machine learning-based digital front-end calibration method for pipeline ADC 2022-05-20
CN-114900183-A Input common mode compensation circuit, pipeline analog-to-digital converter and input common mode compensation method 2022-05-18
CN-114584140-B An interstage gain error calibration method, device, equipment and medium 2022-02-21
CN-114437048-A A kind of coumarin-based fluorescent probe for detecting Ag+, its preparation method and use 2022-02-17
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