4-Pyridineacetic Acid Hydrochloride - ≥98% , CAS No.6622-91-9

CAS: 6622-91-9 Cat. No.: P101990 Peso molecular: 173.6 Beilstein Registry Number: 114124 Número EC: 229-576-3

GRADE & PURITY ≥98%

Synonyms

4-(Carboxymethyl)pyridin-1-ium chloride | AC-1346 | 4-Pyridineacetic acid, hydrochloride | AKOS009140643 | Cyclogeraniol | 2-(pyridin-4-yl)aceticacidhydrochloride | BCP05255 | DTXSID50216417 | Ethyl 2-hydroxy-iso-hexanoate | 4-PYRIDINEACETIC ACID HCL | 4-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

4-(Carboxymethyl)pyridin-1-ium chloride | AC-1346 | 4-Pyridineacetic acid, hydrochloride | AKOS009140643 | Cyclogeraniol | 2-(pyridin-4-yl)aceticacidhydrochloride | BCP05255 | DTXSID50216417 | Ethyl 2-hydroxy-iso-hexanoate | 4-PYRIDINEACETIC ACID HCL | 4-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504755495
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755495
• Sonrisas canónicas: C1=CN=CC=C1CC(=O)O.Cl
• IUPAC Name: 2-pyridin-4-ylacetic acid;hydrochloride
• InChIKey: WKJRYVOTVRPAFN-UHFFFAOYSA-N
• INCHI: 1S/C7H7NO2.ClH/c9-7(10)5-6-1-3-8-4-2-6;/h1-4H,5H2,(H,9,10);1H
• Isómeros SMILES: C1=CN=CC=C1CC(=O)O.Cl
• WGK Alemania: 3
• Peso molecular: 173.6
• Beilstein: 114124
• Reaxy-Rn: 3696648
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3696648&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Carbonyl group - Hydrocarbon derivative - Hydrochloride - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water.
• Punto de fusión (°C): 141°C
• Peso molecular: 173.600 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 173.024 Da
• Monoisotopic Mass: 173.024 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• 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: 2

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