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7-(Ethylamino)-4-methylcoumarin - 98%, high purity , CAS No.28821-18-3

COA

Grade & Purity:

≥98%

Cas Number: 28821-18-3
Molecular Weight: 203.24
MDL number: MFCD00467040
PubChem CID: 120061
PubChem SID: 504756826

In stock

Item Number

E156484

Grouped product items
SKU	Size	Availability	Price
E156484-50mg	50mg	2	$48.90
E156484-250mg	250mg	3	$141.90
E156484-1g	1g	4	$506.90

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Coumarins (70) Six-Membered Heterocyclic Compounds (1696)

Basic Description

Synonyms	7-(ethylamino)-4-methyl-2h-chromen-2-one \| 2H-1-Benzopyran-2-one, 7-(ethylamino)-4-methyl- \| 7-(ethylamino)-4-methylchromen-2-one \| Coumarin 445 \| 7-(Ethyl)amino-4-methylcoumarin \| MFCD00467040 \| 7-(Ethylamino)-4-methyl-2H-1-benzopyran-2-one \| A819615 \| A
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Coumarins and derivatives

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Coumarins and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Coumarins and derivatives
Alternative Parents	1-benzopyrans Secondary alkylarylamines Pyranones and derivatives Benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Coumarin - Benzopyran - 1-benzopyran - Pyranone - Secondary aliphatic/aromatic amine - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Oxacycle - Secondary amine - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504756826
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756826
IUPAC Name	7-(ethylamino)-4-methylchromen-2-one
INCHI	InChI=1S/C12H13NO2/c1-3-13-9-4-5-10-8(2)6-12(14)15-11(10)7-9/h4-7,13H,3H2,1-2H3
InChIKey	OTNIKUTWXUODJZ-UHFFFAOYSA-N
Smiles	CCNC1=CC2=C(C=C1)C(=CC(=O)O2)C
Isomeric SMILES	CCNC1=CC2=C(C=C1)C(=CC(=O)O2)C
Molecular Weight	203.24
Reaxy-Rn	3545918
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3545918&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
F2301553	Certificate of Analysis	Apr 23, 2023	E156484
F2301566	Certificate of Analysis	Apr 23, 2023	E156484
F23011011	Certificate of Analysis	Apr 23, 2023	E156484
F2301581	Certificate of Analysis	Apr 23, 2023	E156484
F2302174	Certificate of Analysis	Apr 23, 2023	E156484
F23011008	Certificate of Analysis	Apr 23, 2023	E156484

Chemical and Physical Properties

Melt Point(°C)	154 °C
Molecular Weight	203.240 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	203.095 Da
Monoisotopic Mass	203.095 Da
Topological Polar Surface Area	38.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	285.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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