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3-(N,N-Diethylaminocarbonyl)phenylboronic acid - 97%, high purity , CAS No.237413-05-7

COA

Grade & Purity:

≥97%

Cas Number: 237413-05-7
Molecular Weight: 221.1
PubChem CID: 3723673

In stock

Item Number

N183061

Grouped product items
SKU	Size	Availability	Price
N183061-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$35.90
N183061-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$137.90
N183061-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,479.90

Basic Description

Synonyms	237413-05-7 \| 3-(N,N-Diethylaminocarbonyl)phenylboronic acid \| (3-(Diethylcarbamoyl)phenyl)boronic acid \| [3-(diethylcarbamoyl)phenyl]boronic Acid \| 3-(diethylcarbamoyl)phenylboronic acid \| 3-(Diethylcarbamoyl)benzeneboronic acid \| SCHEMBL1771787 \| DTXSID80395547 \| DDHUS
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzamides
Alternative Parents	Benzoyl derivatives Tertiary carboxylic acid amides Boronic acids Organic metalloid salts Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzamide - Benzoyl - Tertiary carboxylic acid amide - Boronic acid derivative - Boronic acid - Carboxamide group - Organic metalloid salt - Carboxylic acid derivative - Organic nitrogen compound - Organic metalloid moeity - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a 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	[3-(diethylcarbamoyl)phenyl]boronic acid
INCHI	InChI=1S/C11H16BNO3/c1-3-13(4-2)11(14)9-6-5-7-10(8-9)12(15)16/h5-8,15-16H,3-4H2,1-2H3
InChIKey	DDHUSSNOKNYLAI-UHFFFAOYSA-N
Smiles	B(C1=CC(=CC=C1)C(=O)N(CC)CC)(O)O
Isomeric SMILES	B(C1=CC(=CC=C1)C(=O)N(CC)CC)(O)O
Molecular Weight	221.1
Reaxy-Rn	8983023
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8983023&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	221.060 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	221.122 Da
Monoisotopic Mass	221.122 Da
Topological Polar Surface Area	60.800 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	231.000
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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