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Benalaxyl Solution in Methanol - 1000μg/mL in methanol，uncertain：2%, high purity , CAS No.71626-11-4

1 Citations

COA

Grade & Purity:

1000μg/mL in methanol，uncertain：2%

Cas Number: 71626-11-4
Molecular Weight: 325.4
Beilstein Registry Number: 3001587
EC Number: 275-728-7
PubChem CID: 51369

In stock

Item Number

BWY359295

Grouped product items
SKU	Size	Availability	Price	Qty
BWY359295-1.2ml	1.2ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$103.90

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Fungal (844)

Basic Description

Synonyms	BENALAXYL \| 71626-11-4 \| Galben \| Benalaxyl [BSI:ISO] \| Caswell No. 471AC \| methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate \| EINECS 275-728-7 \| (+)-Benalaxyl \| M 9834 \| 18TH6NY90J \| DTXSID3041619 \| CHEBI:82777 \| Benalaxyl 10 microg/mL in Cyclohexane \| methyl N-(2,6-di
Specifications & Purity	1000μg/mL in methanol，uncertain：2%
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 Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Alpha amino acid esters

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 - Alpha amino acids and derivatives
Direct Parent	Alpha amino acid esters
Alternative Parents	Alanine and derivatives Phenylacetamides Anilides m-Xylenes Tertiary carboxylic acid amides Methyl esters Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alpha-amino acid ester - Alanine or derivatives - Phenylacetamide - Anilide - M-xylene - Xylene - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Methyl ester - Carboxylic acid ester - Carboxamide group - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors	Amide fungicides
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

Mechanisms of Action

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

Names and Identifiers

IUPAC Name	methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate
INCHI	InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3
InChIKey	CJPQIRJHIZUAQP-UHFFFAOYSA-N
Smiles	CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2
Isomeric SMILES	CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2
WGK Germany	2
RTECS	AY5993200
UN Number	3077
Molecular Weight	325.4
Beilstein	3001587
Reaxy-Rn	3001587
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3001587&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	78-80°C
Molecular Weight	325.400 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	325.168 Da
Monoisotopic Mass	325.168 Da
Topological Polar Surface Area	46.600 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	421.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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

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