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Nα-(5-Fluoro-2,4-dinitrophenyl)-D-leucinamide [HPLC Labeling Reagent for e.e. Determination] - 98%, high purity , CAS No.178065-30-0

COA

Grade & Purity:

≥98%

Cas Number: 178065-30-0
Molecular Weight: 314.27
MDL number: MFCD03844762
PubChem CID: 15817227

In stock

Item Number

N159215

Grouped product items
SKU	Size	Availability	Price
N159215-25mg	25mg	2	$39.90
N159215-100mg	100mg	2	$121.90
N159215-250mg	250mg	2	$273.90
N159215-1g	1g	2	$642.90

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Derivatization reagent (39)

Basic Description

Synonyms	Nalpha-(5-fluoro-2,4-Dinitrophenyl)-d-leucinamide[hplc labeling reagent for e.e. determination] \| AKOS025294742 \| SCHEMBL15790586 \| T70442 \| Nalpha-(5-Fluoro-2,4-dinitrophenyl)-D-leucinamide [HPLC Labeling Reagent for e.e. Determination] \| N2-(5-Fluoro-2,
Specifications & Purity	≥98%
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 Alpha amino acids and derivatives
        Level7 Leucine 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 - Alpha amino acids and derivatives
Direct Parent	Leucine and derivatives
Alternative Parents	Dinitroanilines Alpha amino acid amides Nitrobenzenes Phenylalkylamines Nitroaromatic compounds Secondary alkylarylamines Fluorobenzenes Aryl fluorides Fatty amides Primary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organic zwitterions Organofluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Leucine or derivatives - Dinitroaniline - Alpha-amino acid amide - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Fatty acyl - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Fatty amide - Organic nitro compound - Carboxamide group - C-nitro compound - Primary carboxylic acid amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Organic oxygen compound - Amine - Organic nitrogen compound - Organic salt - Organic zwitterion - Carbonyl group - Organic oxide - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as leucine and derivatives. These are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
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	(2R)-2-(5-fluoro-2,4-dinitroanilino)-4-methylpentanamide
INCHI	InChI=1S/C12H15FN4O5/c1-6(2)3-9(12(14)18)15-8-4-7(13)10(16(19)20)5-11(8)17(21)22/h4-6,9,15H,3H2,1-2H3,(H2,14,18)/t9-/m1/s1
InChIKey	WCOZOJGXDVGGIK-SECBINFHSA-N
Smiles	CC(C)CC(C(=O)N)NC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F
Isomeric SMILES	CC(C)C[C@H](C(=O)N)NC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F
Molecular Weight	314.27
Reaxy-Rn	9213293
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9213293&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
B2316550	Certificate of Analysis	Feb 22, 2023	N159215
B2316533	Certificate of Analysis	Feb 22, 2023	N159215
B2316520	Certificate of Analysis	Feb 22, 2023	N159215
B2316511	Certificate of Analysis	Feb 22, 2023	N159215

Chemical and Physical Properties

Solubility	Slightly soluble in Acetone
Specific Rotation[α]	-4° (C=1,Acetone)
Melt Point(°C)	170 °C
Molecular Weight	314.270 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	314.103 Da
Monoisotopic Mass	314.103 Da
Topological Polar Surface Area	147.000 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	436.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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