ethyl 1-benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate - ≥97% , CAS No.23019-62-7

CAS: 23019-62-7 Cat. No.: E349205 Peso molecular: 245.32

GRADE & PURITY ≥97%

Synonyms

ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate | ethyl 1-(phenylmethyl)-3,6-dihydro-2H-pyridine-4-carboxylate | FT-0646044 | HPBHOJNKSYJCRT-UHFFFAOYSA-N | DTXSID80354957 | 1-(phenylmethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid ethyl ester | J-01

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

ethyl 1-benzyl-3, 6-dihydro-2H-pyridine-4-carboxylate | ethyl 1-(phenylmethyl)-3, 6-dihydro-2H-pyridine-4-carboxylate | FT-0646044 | HPBHOJNKSYJCRT-UHFFFAOYSA-N | DTXSID80354957 | 1-(phenylmethyl)-3, 6-dihydro-2H-pyridine-4-carboxylic acid ethyl ester | J-01

Especificaciones y pureza

≥97%

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

≥97%

Nombres e identificadores

• Pubchem Sid: 504760157
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760157
• Sonrisas canónicas: CCOC(=O)C1=CCN(CC1)CC2=CC=CC=C2
• IUPAC Name: ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate
• InChIKey: HPBHOJNKSYJCRT-UHFFFAOYSA-N
• INCHI: 1S/C15H19NO2/c1-2-18-15(17)14-8-10-16(11-9-14)12-13-6-4-3-5-7-13/h3-8H,2,9-12H2,1H3
• Isómeros SMILES: CCOC(=O)C1=CCN(CC1)CC2=CC=CC=C2
• Peso molecular: 245.32
• Reaxy-Rn: 477438
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=477438&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Hydropyridines Enoate esters Trialkylamines Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Aralkylamine - Hydropyridine - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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: n20D1.56 (Predicted)
• Punto de ebullición (°C): ~344.0° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 106.89° C (Predicted)
• Peso molecular: 245.320 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 245.142 Da
• Monoisotopic Mass: 245.142 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 306.000
• 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