Acetyl-L-aspartic 4-nitroanilide - ≥95% , CAS No.41149-01-3

CAS: 41149-01-3 Cat. No.: A342136 Summenformel: C₁₂H₁₃N₃O₆ Molekulargewicht: 295.25 PubChem CID: 7408237

GRADE & PURITY ≥95%

Synonyms

Acetyl-L-aspartic 4-nitroanilide | DTXSID90428592 | N-Acetyl-L-aspartic acid alpha-(p-nitroanilide) | (3S)-3-acetamido-4-(4-nitroanilino)-4-oxobutanoic acid | N~2~-Acetyl-N-(4-nitrophenyl)-L-alpha-asparagine | Ac-L-Asp-pNA | Ac-aspartic acid-pna | Ac-Asp-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

Acetyl-L-aspartic 4-nitroanilide | DTXSID90428592 | N-Acetyl-L-aspartic acid alpha-(p-nitroanilide) | (3S)-3-acetamido-4-(4-nitroanilino)-4-oxobutanoic acid | N~2~-Acetyl-N-(4-nitrophenyl)-L-alpha-asparagine | Ac-L-Asp-pNA | Ac-aspartic acid-pna | Ac-Asp-

Spezifikationen & Reinheit

≥95%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

504764756

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764756

Kanonisches Lächeln

CC(=O)NC(CC(=O)O)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-]

IUPAC Name

(3S)-3-acetamido-4-(4-nitroanilino)-4-oxobutanoic acid

InChIKey

CZAFZGHQNCYTDG-JTQLQIEISA-N

INCHI

1S/C12H13N3O6/c1-7(16)13-10(6-11(17)18)12(19)14-8-2-4-9(5-3-8)15(20)21/h2-5,10H,6H2,1H3,(H,13,16)(H,14,19)(H,17,18)/t10-/m0/s1

Isomere SMILES

CC(=O)N[C@@H](CC(=O)O)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-]

PubChem CID

7408237

Molekulargewicht

295.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Aspartic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Aspartic acid and derivatives
• Alternative Parents: N-acyl-alpha amino acids and derivatives Alpha amino acid amides Anilides Nitrobenzenes Nitroaromatic compounds N-arylamides Fatty amides Acetamides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic zwitterions Organic salts Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aspartic acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - Monocyclic benzene moiety - Fatty acyl - Fatty amide - Benzenoid - Acetamide - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic zwitterion - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: Not available

Data sources

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

Chemische und physikalische Eigenschaften

• Brechungsindex: n20D1.62 (Predicted)
• Siedepunkt (°C): 695.03° C at 760 mmHg (Predicted)
• Schmelzpunkt (°C): 244.42° C (Predicted)
• Molekulargewicht: 295.250 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 295.08 Da
• Monoisotopic Mass: 295.08 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 425.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 41149-01-3, the molecular formula is C12H13N3O6, and the molecular weight is 295.25 g/mol. InChIKey CZAFZGHQNCYTDG-JTQLQIEISA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.