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2-Bromo-N-(3，4-dihydroxyphenethyl)propanamide - ≥95%, high purity , CAS No.862673-06-1

COA

Grade & Purity:

≥95%

Cas Number: 862673-06-1
Molecular Weight: 288.14
MDL number: MFCD30478705
PubChem CID: 58589778

In stock

Item Number

B769097

Grouped product items
SKU	Size	Availability	Price	Qty
B769097-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$600.90
B769097-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,299.90

Basic Description

Specifications & Purity	≥95%
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 Benzenoids
  - Class Phenols
    - Subclass Benzenediols
      - Level5 Catechols
        Level6 Catecholamines and derivatives
        Level7 N-acyldopamines

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Benzenediols
Intermediate Tree Nodes	Catechols - Catecholamines and derivatives
Direct Parent	N-acyldopamines
Alternative Parents	1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Secondary carboxylic acid amides Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	N-acyldopamine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Alkyl bromide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-acyldopamines. These are aromatic heterocyclic compounds containing a dopamine, in which the amine group is acylated.
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

INCHI	InChI=1S/C11H14BrNO3/c1-7(12)11(16)13-5-4-8-2-3-9(14)10(15)6-8/h2-3,6-7,14-15H,4-5H2,1H3,(H,13,16)
InChIKey	LGZVAJNPGRBFOC-UHFFFAOYSA-N
Smiles	CC(C(=O)NCCC1=CC(=C(C=C1)O)O)Br
Isomeric SMILES	CC(C(=O)NCCC1=CC(=C(C=C1)O)O)Br
Molecular Weight	288.14

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	288.140 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	287.016 Da
Monoisotopic Mass	287.016 Da
Topological Polar Surface Area	69.600 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	237.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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