3-Azidopropanoic acid NHS ester - ≥98% , CAS No.850180-76-6

CAS: 850180-76-6 Cat. No.: A596186 Formula: C₇H₈N₄O₄ Peso molecolare: 212.2 PubChem CID: 11514013

QUALITÀ & PUREZZA ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

3-Azidopropanoic acid NHS ester is an azidopropanoic acid derivative that contains an NHS ester group. The azide group can undergo copper-catalyzed Click Chemistry reactions with alkyne, DBCO and BCN. The NHS ester can react with other primary amines to label proteins and antibodies.

Specifiche

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

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Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

C1CC(=O)N(C1=O)OC(=O)CCN=[N+]=[N-]

IUPAC Name

(2,5-dioxopyrrolidin-1-yl) 3-azidopropanoate

InChIKey

WATICTZQAVLEKN-UHFFFAOYSA-N

INCHI

1S/C7H8N4O4/c8-10-9-4-3-7(14)15-11-5(12)1-2-6(11)13/h1-4H2

Isomeri SMILES

C1CC(=O)N(C1=O)OC(=O)CCN=[N+]=[N-]

PubChem CID

11514013

Peso molecolare

212.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine-2-ones
• Alternative Parents: Dicarboximides Lactams Azo imides Azo compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-pyrrolidone - Dicarboximide - Azo compound - Azo imide - Lactam - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic zwitterion - Organic salt - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring.
• 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

Proprietà chimiche e fisiche

• Solubilità: Solubility in DMSO, DCM, DMF
• Peso molecolare: 212.160 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 212.055 Da
• Monoisotopic Mass: 212.055 Da
• Topological Polar Surface Area: 78.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 331.000
• 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