3-Azidopropionic Acid - ≥95% , CAS No.18523-47-2

CAS: 18523-47-2 Cat. No.: A595229 Molecular Weight: 115.09 EC Number: 805-451-4

GRADE & PURITY ≥95%

Synonyms

EN300-108329 | AMY21581 | UNII-PXM5HY6VUN | 3-azidopropanoic acid | LCZC426 | BP-23799 | FT-0685272 | F8881-6539 | SY142459 | Propanoic acid, 3-azido- | 3-azido propionic acid | SCHEMBL13482785 | A930249 | 3-Azidopropionic acid, >=95% | DTXSID50171759 | C

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

3-Azidopropionic Acid contains an azide moiety and carboxylic acid group. The azide group can undergo copper-catalyzed Click Chemistry reactions with alkyne groups. The terminal carboxylic acid group can react with primary amine groups in the presence of activators such as EDC or DCC to form stable amide bonds.

Specifications

Synonyms

EN300-108329 | AMY21581 | UNII-PXM5HY6VUN | 3-azidopropanoic acid | LCZC426 | BP-23799 | FT-0685272 | F8881-6539 | SY142459 | Propanoic acid, 3-azido- | 3-azido propionic acid | SCHEMBL13482785 | A930249 | 3-Azidopropionic acid, >=95% | DTXSID50171759 | C

Specifications & Purity

≥95%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C(CN=[N+]=[N-])C(=O)O
• IUPAC Name: 3-azidopropanoic acid
• InChIKey: YIPVUXAMZQBALD-UHFFFAOYSA-N
• INCHI: 1S/C3H5N3O2/c4-6-5-2-1-3(7)8/h1-2H2,(H,7,8)
• Isomeric SMILES: C(CN=[N+]=[N-])C(=O)O
• Molecular Weight: 115.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Class Allyl-type 1,3-dipolar organic compounds
      • Subclass Azo imides

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Class: Allyl-type 1,3-dipolar organic compounds
• Subclass: Azo imides
• Intermediate Tree Nodes: Not available
• Direct Parent: Azo imides
• Alternative Parents: Azo compounds Monocarboxylic acids and derivatives Carboxylic acids Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Azo imide - Azo compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as azo imides. These are n-Imides of azo compounds, analogous to azoxy compounds, having a delocalized structure.
• 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

Chemical and Physical Properties

• Sensitivity: Air and heat sensitive
• Boil Point(°C): 80 °C/1 mmHg
• Molecular Weight: 115.090 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 115.038 Da
• Monoisotopic Mass: 115.038 Da
• Topological Polar Surface Area: 51.700 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 126.000
• 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