2-(2-Aminopyridin-3-yl)acetic acid - ≥95% , CAS No.101860-97-3

CAS: 101860-97-3 Cat. No.: A189345 Peso molecular: 152.15

GRADE & PURITY ≥95%

Synonyms

DS-17068 | 2-(2-Aminopyridin-3-yl)acetic acid | AM806598 | 2-(2-Amino-3-pyridyl)acetic Acid | 2-(2-aminopyridin-3-yl)aceticacid | SB21200 | 2-aminopyridyl acetic acid | A897030 | EN300-177877 | MFCD11848318 | DTXSID201307332 | (2-AMINO-PYRIDIN-3-YL)-ACETI

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DS-17068 | 2-(2-Aminopyridin-3-yl)acetic acid | AM806598 | 2-(2-Amino-3-pyridyl)acetic Acid | 2-(2-aminopyridin-3-yl)aceticacid | SB21200 | 2-aminopyridyl acetic acid | A897030 | EN300-177877 | MFCD11848318 | DTXSID201307332 | (2-AMINO-PYRIDIN-3-YL)-ACETI

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(N=C1)N)CC(=O)O
• IUPAC Name: 2-(2-aminopyridin-3-yl)acetic acid
• InChIKey: XIOPEJHJRPVVDJ-UHFFFAOYSA-N
• INCHI: 1S/C7H8N2O2/c8-7-5(4-6(10)11)2-1-3-9-7/h1-3H,4H2,(H2,8,9)(H,10,11)
• Isómeros SMILES: C1=CC(=C(N=C1)N)CC(=O)O
• Peso molecular: 152.15
• Reaxy-Rn: 5206
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5206&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Aminopyridines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyridines and derivatives
• Alternative Parents: Imidolactams Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyridine - Imidolactam - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Amine - Organooxygen compound - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 152.150 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 152.059 Da
• Monoisotopic Mass: 152.059 Da
• Topological Polar Surface Area: 76.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 149.000
• 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