clorhidrato de ácido 4-metilpiperidina-4-carboxílico - ≥97% , CAS No.919354-20-4

CAS: 919354-20-4 Cat. No.: M195846 Peso molecular: 179.65 Número EC: 822-680-5

GRADE & PURITY ≥97%

Synonyms

4-METHYL-4-PIPERIDINECARBOXYLIC ACID HCL | DS-17238 | EN300-130747 | GGMOJYOORZQAFB-UHFFFAOYSA-N | 4-methylpiperidine-4-carboxylic acid;hydrochloride | SCHEMBL1282695 | SB15667 | 4-methylpiperidine-4-carboxylate hydrochloride | 4-Methyl-4-piperidinecarbox

Storage

Temperatura ambiente

Shipped In

Normal

Specifications

Sinónimos

4-METHYL-4-PIPERIDINECARBOXYLIC ACID HCL | DS-17238 | EN300-130747 | GGMOJYOORZQAFB-UHFFFAOYSA-N | 4-methylpiperidine-4-carboxylic acid;hydrochloride | SCHEMBL1282695 | SB15667 | 4-methylpiperidine-4-carboxylate hydrochloride | 4-Methyl-4-piperidinecarbox

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1(CCNCC1)C(=O)O.Cl
• IUPAC Name: 4-methylpiperidine-4-carboxylic acid;hydrochloride
• InChIKey: GGMOJYOORZQAFB-UHFFFAOYSA-N
• INCHI: 1S/C7H13NO2.ClH/c1-7(6(9)10)2-4-8-5-3-7;/h8H,2-5H2,1H3,(H,9,10);1H
• Isómeros SMILES: CC1(CCNCC1)C(=O)O.Cl
• Peso molecular: 179.65
• Reaxy-Rn: 14573433
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14573433&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Hydrochloride - Amine - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
• 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

• Peso molecular: 179.640 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 179.071 Da
• Monoisotopic Mass: 179.071 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 139.000
• 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

XLogP3