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2-(4-Aminophenyl)-N， N-dimethylacetamide - ≥97%, high purity , CAS No.81709-36-6

COA

Grade & Purity:

≥97%

Cas Number: 81709-36-6
Molecular Weight: 178.24
PubChem CID: 12805227

In stock

Item Number

N727116

Grouped product items
SKU	Size	Availability	Price	Qty
N727116-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$617.90
N727116-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,236.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylacetamides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylacetamides
Intermediate Tree Nodes	Not available
Direct Parent	Phenylacetamides
Alternative Parents	Aniline and substituted anilines Tertiary carboxylic acid amides Amino acids and derivatives Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylacetamide - Aniline or substituted anilines - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
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-(4-aminophenyl)-N,N-dimethylacetamide
INCHI	InChI=1S/C10H14N2O/c1-12(2)10(13)7-8-3-5-9(11)6-4-8/h3-6H,7,11H2,1-2H3
InChIKey	HKWHCRLGBUCCTI-UHFFFAOYSA-N
Smiles	CN(C)C(=O)CC1=CC=C(C=C1)N
Isomeric SMILES	CN(C)C(=O)CC1=CC=C(C=C1)N
PubChem CID	12805227
Molecular Weight	178.24

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	178.230 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	178.111 Da
Monoisotopic Mass	178.111 Da
Topological Polar Surface Area	46.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	172.000
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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