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2-Amino-5-bromo-N，N-dimethylbenzamide - ≥98%, high purity , CAS No.139253-79-5

COA

Grade & Purity:

≥98%

Cas Number: 139253-79-5
Molecular Weight: 243.1
PubChem CID: 50999512

In stock

Item Number

A733102

Grouped product items
SKU	Size	Availability	Price	Qty
A733102-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$95.90
A733102-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$191.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Benzamides
        Level6 Anthranilamides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Benzamides
Direct Parent	Anthranilamides
Alternative Parents	3-halobenzoic acids and derivatives 2-aminobenzamides Benzoyl derivatives Aniline and substituted anilines Bromobenzenes Aryl bromides Vinylogous amides Tertiary carboxylic acid amides Tertiary amines Amino acids and derivatives Primary amines Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminobenzamide - Anthranilamide - Aminobenzoic acid or derivatives - 2-aminobenzamide - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Aniline or substituted anilines - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous amide - Tertiary carboxylic acid amide - Tertiary amine - Carboxamide group - Amino acid or derivatives - Carboxylic acid derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Primary amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as anthranilamides. These are aromatic compound containing a benzene carboxamide moiety that carries an amine group at the 2-position of the benzene ring.
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-amino-5-bromo-N,N-dimethylbenzamide
INCHI	InChI=1S/C9H11BrN2O/c1-12(2)9(13)7-5-6(10)3-4-8(7)11/h3-5H,11H2,1-2H3
InChIKey	KKABTZZYSDNSKZ-UHFFFAOYSA-N
Smiles	CN(C)C(=O)C1=C(C=CC(=C1)Br)N
Isomeric SMILES	CN(C)C(=O)C1=C(C=CC(=C1)Br)N
PubChem CID	50999512
Molecular Weight	243.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	243.100 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	242.005 Da
Monoisotopic Mass	242.005 Da
Topological Polar Surface Area	46.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	196.000
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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