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3-methoxy-4-(methylamino)cyclobut-3-ene-1,2-dione - 97%, high purity , CAS No.63649-29-6

COA

Grade & Purity:

≥97%

Cas Number: 63649-29-6
PubChem CID: 13508860

In stock

Item Number

M681287

Grouped product items
SKU	Size	Availability	Price
M681287-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$116.90
M681287-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$172.90
M681287-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$344.90
M681287-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,030.90
M681287-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,716.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines
      - Level5 Secondary amines
        Level6 Secondary alkylarylamines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Secondary amines
Direct Parent	Secondary alkylarylamines
Alternative Parents	Alkyl aryl ethers Vinylogous esters Vinylogous amides Cyclic ketones Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Secondary aliphatic/aromatic amine - Alkyl aryl ether - Vinylogous ester - Vinylogous amide - Cyclic ketone - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as secondary alkylarylamines. These are secondary alkylarylamines with the general formula HN(R)R' (R = alkyl, R' = aryl).
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	3-methoxy-4-(methylamino)cyclobut-3-ene-1,2-dione
INCHI	InChI=1S/C6H7NO3/c1-7-3-4(8)5(9)6(3)10-2/h7H,1-2H3
InChIKey	FCFIXIAXNVTUTF-UHFFFAOYSA-N
Smiles	CNC1=C(C(=O)C1=O)OC
Isomeric SMILES	CNC1=C(C(=O)C1=O)OC
Alternate CAS	63649-29-6
PubChem CID	13508860

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	141.120 g/mol
XLogP3	-0.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	141.043 Da
Monoisotopic Mass	141.043 Da
Topological Polar Surface Area	55.400 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	229.000
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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