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4-Amino-N-phenylbenzamide - 97%, high purity , CAS No.782-45-6

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4-Amino-N-phenylbenzamide - 97%, high purity , CAS No.782-45-6

1 Citations

COA

Grade & Purity:

≥97%

Cas Number: 782-45-6
Molecular Weight: 212.25
MDL number: MFCD00017107
PubChem CID: 69910
PubChem SID: 504754463

In stock

Item Number

A195050

Grouped product items
SKU	Size	Availability	Price
A195050-250mg	250mg	2	$22.90
A195050-1g	1g	2	$41.90
A195050-5g	5g	2	$139.90

Basic Description

Synonyms	4-Amino-N-phenylbenzamide \| 782-45-6 \| 4-Aminobenzanilide \| Benzamide, 4-amino-N-phenyl- \| Benzanilide, 4-amino- \| MFCD00017107 \| EINECS 212-313-1 \| BRN 2212452 \| NSC50646 \| p-AMINOBENZANILIDE \| WLN: ZR DVMR \| 4-Aminobenzanilide, 95% \| 4-Amino-N-phenyl-benzamide \| Oprea1_436386 \| SC
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 Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Anilides
      - Level5 Aromatic anilides
        Level6 Benzanilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Aromatic anilides
Direct Parent	Benzanilides
Alternative Parents	Aminobenzoic acids and derivatives Benzamides Benzoyl derivatives Aniline and substituted anilines Secondary carboxylic acid amides Amino acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzanilide - Aminobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
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

Associated Targets(Human)

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

Discover Target: PTGS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

Discover Target: PTGS2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504754463
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754463
IUPAC Name	4-amino-N-phenylbenzamide
INCHI	InChI=1S/C13H12N2O/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12/h1-9H,14H2,(H,15,16)
InChIKey	QHWDUJPWCGEBTH-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N
Isomeric SMILES	C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N
WGK Germany	3
RTECS	CV2335000
Molecular Weight	212.25
Reaxy-Rn	2212452
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212452&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
H2120106	Certificate of Analysis	Jun 03, 2024	A195050
H2120107	Certificate of Analysis	Jun 03, 2024	A195050
H2120108	Certificate of Analysis	Jun 03, 2024	A195050

Chemical and Physical Properties

Melt Point(°C)	127-131 °C
Molecular Weight	212.250 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	212.095 Da
Monoisotopic Mass	212.095 Da
Topological Polar Surface Area	55.100 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	228.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Congcong Yin, Zhe Zhang, Zhenshu Si, Xiansong Shi, Yong Wang. (2022) Smart Covalent Organic Frameworks with Intrapore Azobenzene Groups for Light-Gated Ion Transport. CHEMISTRY OF MATERIALS, 34 (20): (9212–9220).

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