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4-(Aminomethyl)-6,7-dimethoxycoumarin - 98%, high purity , CAS No.849042-47-3
a fluorescent labeling reagent
Basic Description
Synonyms
4-(Aminomethyl)-6,7-dimethoxy-2H-1-benzopyran-2-one
Specifications & Purity
≥98%
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
4-(Aminomethyl)-6,7-dimethoxycoumarin is a fluorescent labeling reagent for the reversed-phase HPLC separation and detection of carboxylic acids.
Taxonomic Classification
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 Anisoles Pyranones and derivatives Aralkylamines Alkyl aryl ethers Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Ether - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Primary aliphatic amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Primary amine - 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
Data sources
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.
Names and Identifiers
Pubchem Sid
504762859
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504762859
IUPAC Name
4-(aminomethyl)-6,7-dimethoxychromen-2-one
INCHI
InChI=1S/C12H13NO4/c1-15-10-4-8-7(6-13)3-12(14)17-9(8)5-11(10)16-2/h3-5H,6,13H2,1-2H3
InChIKey
AXXVGQYUBHDGBK-UHFFFAOYSA-N
Smiles
COC1=C(C=C2C(=C1)C(=CC(=O)O2)CN)OC
Isomeric SMILES
COC1=C(C=C2C(=C1)C(=CC(=O)O2)CN)OC
Molecular Weight
235.24
Reaxy-Rn
34379132
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34379132&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in Dichloromethane, Ether, Ethyl Acetate and Methanol
Melt Point(°C)
130-133° C
Molecular Weight
235.240 g/mol
XLogP3
0.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
235.084 Da
Monoisotopic Mass
235.084 Da
Topological Polar Surface Area
70.800 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
328.000
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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G2320322