4-Piperidin-4-yl-benzoic acid methyl ester hydrochloride - ≥95% , CAS No.936130-82-4

CAS: 936130-82-4 Cat. No.: P356571 Peso molecular: 255.75 Número EC: 847-225-8

GRADE & PURITY ≥95%

Synonyms

METHYL 4-PIPERIDIN-4-YL-BENZATE HCL | EN300-234922 | Methyl 4-(4-piperidyl)benzoate hydrochloride | methyl 4-piperidin-4-ylbenzoate;hydrochloride | A922458 | AS-30835 | SB40077 | methyl 4-piperidin-4-ylbenzoate hydrochloride | DTXSID20655172 | Methyl 4-(p

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

4-Piperidin-4-yl-benzoic acid methyl ester hydrochloride is a biochemical for proteomics research.

Specifications

Sinónimos

METHYL 4-PIPERIDIN-4-YL-BENZATE HCL | EN300-234922 | Methyl 4-(4-piperidyl)benzoate hydrochloride | methyl 4-piperidin-4-ylbenzoate;hydrochloride | A922458 | AS-30835 | SB40077 | methyl 4-piperidin-4-ylbenzoate hydrochloride | DTXSID20655172 | Methyl 4-(p

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504770195
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770195
• Sonrisas canónicas: COC(=O)C1=CC=C(C=C1)C2CCNCC2.Cl
• IUPAC Name: methyl 4-piperidin-4-ylbenzoate;hydrochloride
• InChIKey: RBOHZKFJKGYRPA-UHFFFAOYSA-N
• INCHI: 1S/C13H17NO2.ClH/c1-16-13(15)12-4-2-10(3-5-12)11-6-8-14-9-7-11;/h2-5,11,14H,6-9H2,1H3;1H
• Isómeros SMILES: COC(=O)C1=CC=C(C=C1)C2CCNCC2.Cl
• CAS alternativo: 281235-04-9
• Peso molecular: 255.75

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Benzoic acid esters Benzoyl derivatives Aralkylamines Methyl esters Amino acids and derivatives Dialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Secondary amine - Secondary aliphatic amine - Hydrochloride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl 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

• Índice de refracción: n20D~1.52 (Predicted)
• Peso molecular: 255.740 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 255.103 Da
• Monoisotopic Mass: 255.103 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 228.000
• 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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