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Methyl 3-(3-boronobenzamido)propionate - 97%, high purity , CAS No.957034-72-9

COA

Grade & Purity:

≥97%

Cas Number: 957034-72-9
Molecular Weight: 251
PubChem CID: 44118559

In stock

Item Number

M188700

Grouped product items
SKU	Size	Availability	Price
M188700-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$91.90
M188700-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$409.90
M188700-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,842.90

Discover Methyl 3-(3-boronobenzamido)propionate by Aladdin Scientific in 97% for only $91.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	957034-72-9 \| Methyl 3-(3-boronobenzamido)propionate \| (3-((3-Methoxy-3-oxopropyl)carbamoyl)phenyl)boronic acid \| [3-[(3-methoxy-3-oxopropyl)carbamoyl]phenyl]boronic acid \| {3-[(3-methoxy-3-oxopropyl)carbamoyl]phenyl}boronic acid \| Methyl 3-(3-boronobenzoylamino)pr
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Beta amino acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives
Direct Parent	Beta amino acids and derivatives
Alternative Parents	Benzamides Benzoyl derivatives Methyl esters Secondary carboxylic acid amides Boronic acids Organic metalloid salts Monocarboxylic acids and derivatives Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Beta amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Methyl ester - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Boronic acid - Boronic acid derivative - Monocarboxylic acid or derivatives - Organic metalloid salt - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
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-[(3-methoxy-3-oxopropyl)carbamoyl]phenyl]boronic acid
INCHI	InChI=1S/C11H14BNO5/c1-18-10(14)5-6-13-11(15)8-3-2-4-9(7-8)12(16)17/h2-4,7,16-17H,5-6H2,1H3,(H,13,15)
InChIKey	HOSNWHARMRFHGM-UHFFFAOYSA-N
Smiles	B(C1=CC(=CC=C1)C(=O)NCCC(=O)OC)(O)O
Isomeric SMILES	B(C1=CC(=CC=C1)C(=O)NCCC(=O)OC)(O)O
Molecular Weight	251
Reaxy-Rn	40902403
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=40902403&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	251.050 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	251.097 Da
Monoisotopic Mass	251.097 Da
Topological Polar Surface Area	95.900 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	297.000
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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