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7-Dimethylaminocoumarin-4-acetic acid - 95%, high purity , CAS No.80883-54-1

COA

Grade & Purity:

≥95%

Cas Number: 80883-54-1
Molecular Weight: 247.2
PubChem CID: 2762622

In stock

Item Number

D186706

Grouped product items
SKU	Size	Availability	Price
D186706-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$17.90
D186706-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$58.90
D186706-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$92.90
D186706-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$234.90
D186706-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$971.90
D186706-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,747.90

Basic Description

Synonyms	D-126 \| FT-0621399 \| A19197 \| 2-[7-(dimethylamino)-2-oxo-2H-chromen-4-yl]acetic acid \| J-519038 \| 2-[7-(dimethylamino)-2-oxochromen-4-yl]acetic acid \| GS-4260 \| HQMBLJOHUDYJLK-UHFFFAOYSA-N \| Oprea1_682625 \| 7-(Dimethylamino)coumarine-4-Acetic Acid \| 7-dim
Specifications & Purity	≥95%
Storage Temp	Room temperature
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 Dialkylarylamines Pyranones and derivatives Benzenoids Heteroaromatic compounds Lactones Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Coumarin - Benzopyran - 1-benzopyran - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Tertiary amine - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - 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

IUPAC Name	2-[7-(dimethylamino)-2-oxochromen-4-yl]acetic acid
INCHI	InChI=1S/C13H13NO4/c1-14(2)9-3-4-10-8(5-12(15)16)6-13(17)18-11(10)7-9/h3-4,6-7H,5H2,1-2H3,(H,15,16)
InChIKey	HQMBLJOHUDYJLK-UHFFFAOYSA-N
Smiles	CN(C)C1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)O
Isomeric SMILES	CN(C)C1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)O
Molecular Weight	247.2
Reaxy-Rn	227412
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=227412&ln=

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

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3 results found

Lot Number	Certificate Type	Date	Item
H2414096	Certificate of Analysis	Apr 10, 2024	D186706
H2414097	Certificate of Analysis	Apr 10, 2024	D186706
H2414098	Certificate of Analysis	Apr 10, 2024	D186706

Chemical and Physical Properties

Molecular Weight	247.250 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	247.084 Da
Monoisotopic Mass	247.084 Da
Topological Polar Surface Area	66.800 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	388.000
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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