4-Piperidineacetic acid - ≥98% , CAS No.51052-78-9

CAS: 51052-78-9 Cat. No.: P351472 Peso molecular: 143.18 Número EC: 803-931-8

GRADE & PURITY ≥98%

Synonyms

Q-103055 | Piperidine-4-acetic acid | AKOS000321182 | 2-(piperidin-4-yl)acetic acid | Piperidine-4-ylacetic acid | 4-piperidylacetic acid | FT-0657350 | (Piperidin-4-yl)acetic acid | 2-piperidin-4-ylacetic acid | F8887-4134 | A9474 | FT-0641459 | TS-01860

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

Q-103055 | Piperidine-4-acetic acid | AKOS000321182 | 2-(piperidin-4-yl)acetic acid | Piperidine-4-ylacetic acid | 4-piperidylacetic acid | FT-0657350 | (Piperidin-4-yl)acetic acid | 2-piperidin-4-ylacetic acid | F8887-4134 | A9474 | FT-0641459 | TS-01860

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CNCCC1CC(=O)O
• IUPAC Name: 2-piperidin-4-ylacetic acid
• InChIKey: YFNOTMRKVGZZNF-UHFFFAOYSA-N
• INCHI: 1S/C7H13NO2/c9-7(10)5-6-1-3-8-4-2-6/h6,8H,1-5H2,(H,9,10)
• Isómeros SMILES: C1CNCCC1CC(=O)O
• WGK Alemania: 3
• Peso molecular: 143.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Delta amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Delta amino acids and derivatives
• Alternative Parents: Piperidines Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Delta amino acid or derivatives - Piperidine - Amino acid - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Amine - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.
• 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

• Sensibilidad: Moisture sensitive
• Índice de refracción: n20D1.47 (Predicted)
• Peso molecular: 143.180 g/mol
• XLogP3: -2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 143.095 Da
• Monoisotopic Mass: 143.095 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 10
• 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: 1