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

CAS: 103489-31-2 Cat. No.: A356264 Summenformel: C₉H₉N₃O₂ Molekulargewicht: 191.19 Beilstein Registry Number: 4424312 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥99%

Storage

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

Verschickt in

Wet ice

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

Reinheit

≥99%

Namen und Kennungen

• Pubchem Sid: 508809110
• Kanonisches Lächeln: 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)
• Isomere SMILES: C1=CC(=CC=C1CCC(=O)O)N=[N+]=[N-]
• WGK Deutschland: 3
• UN-Nummer: 1325
• Verpackungsgruppe: II
• Molekulargewicht: 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
    • Klasse Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in ethyl acetate (50 mg/ml).
• Empfindlichkeit: Light & Heat sensitive
• Siedepunkt (°C): 506.28° C (Predicted)
• Schmelzpunkt (°C): 215.53° C (Predicted)
• Molekulargewicht: 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