3-(4-Azidophenyl)propionic acid - ≥99% , CAS No.103489-31-2

CAS: 103489-31-2 Cat. No.: A356264 Formula: C₉H₉N₃O₂ Peso molecolare: 191.19 Beilstein Registry Number: 4424312 Numero EC: 622-482-7

GRADE & PURITY ≥99%

Synonyms

SCHEMBL13754584 | Benzenepropanoic acid,4-azido- | YSZCJ048 | 3-(4-azidophenyl) propionic acid | 3-(4-Azidophenyl)propanoic acid | EN300-8588987 | J-000987 | MFCD00798799 | 3-(4-AZIDOPHENYL)PROPIONIC ACID | DTXSID30544301 | RZYXFEOBOVVBLL-UHFFFAOYSA-N | A

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Sinonimi

SCHEMBL13754584 | Benzenepropanoic acid,4-azido- | YSZCJ048 | 3-(4-azidophenyl) propionic acid | 3-(4-Azidophenyl)propanoic acid | EN300-8588987 | J-000987 | MFCD00798799 | 3-(4-AZIDOPHENYL)PROPIONIC ACID | DTXSID30544301 | RZYXFEOBOVVBLL-UHFFFAOYSA-N | A

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 508809110
• Sorrisi canonici: C1=CC(=CC=C1CCC(=O)O)N=[N+]=[N-]
• IUPAC Name: 3-(4-azidophenyl)propanoic acid
• InChIKey: RZYXFEOBOVVBLL-UHFFFAOYSA-N
• INCHI: 1S/C9H9N3O2/c10-12-11-8-4-1-7(2-5-8)3-6-9(13)14/h1-2,4-5H,3,6H2,(H,13,14)
• Isomeri SMILES: C1=CC(=CC=C1CCC(=O)O)N=[N+]=[N-]
• WGK Germania: 3
• Numero UN: 1325
• Gruppo di imballaggio: II
• Peso molecolare: 191.19
• Beilstein: 4424312
• Reaxy-Rn: 4424312
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4424312&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: Phenylazides Azo imides Azo compounds Monocarboxylic acids and derivatives Carboxylic acids Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-phenylpropanoic-acid - Phenylazide - Monocyclic benzene moiety - Benzenoid - Azo compound - Azo imide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic cation - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
• 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: Soluble in ethyl acetate (50 mg/ml).
• Sensibilità: Light & Heat sensitive
• Punto di ebollizione (°C): 506.28° C (Predicted)
• Punto di fusione (°C): 215.53° C (Predicted)
• Peso molecolare: 191.190 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 191.069 Da
• Monoisotopic Mass: 191.069 Da
• Topological Polar Surface Area: 51.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 240.000
• 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