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N-(3,5-Dinitrobenzoyl)-DL-leucine , CAS No.74928-54-4

COA

Cas Number: 74928-54-4
Molecular Weight: 325.27
PubChem CID: 344243

In stock

Item Number

N340285

Grouped product items
SKU	Size	Availability	Price	Qty
N340285-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$41.90

Basic Description

Synonyms	SCHEMBL452263 \| N-(3,5-Dinitrobenzoyl)-DL-leucine \| HY-W142033 \| N-(3,5-Dinitrobenzoyl)-DL-leucine, 99% \| AKOS016607202 \| Leucine,N-(3,5-dinitrobenzoyl)- \| n-(3,5-dinitrobenzoyl)-s-leucine \| NSC401042 \| NSC-401042 \| CS-0201818
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	Hippuric acids N-acyl-alpha amino acids Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Carbonyl compounds Organonitrogen compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Leucine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Hippuric acid - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic oxoazanium - Carboxylic acid - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen 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	2-[(3,5-dinitrobenzoyl)amino]-4-methylpentanoic acid
INCHI	InChI=1S/C13H15N3O7/c1-7(2)3-11(13(18)19)14-12(17)8-4-9(15(20)21)6-10(5-8)16(22)23/h4-7,11H,3H2,1-2H3,(H,14,17)(H,18,19)
InChIKey	DIOBIOPCRMWGAT-UHFFFAOYSA-N
Smiles	CC(C)CC(C(=O)O)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
Isomeric SMILES	CC(C)CC(C(=O)O)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
WGK Germany	3
Molecular Weight	325.27
Reaxy-Rn	3223384
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3223384&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	325.270 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	325.091 Da
Monoisotopic Mass	325.091 Da
Topological Polar Surface Area	158.000 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	461.000
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

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