2-(4-methoxyphenyl)-1-{[5-(2-nitrophenyl)furan-2-yl]methyl}pyrrolidine - ≥97% , CAS No.1019158-02-1

CAS: 1019158-02-1 Cat. No.: P626549 Peso molecular: 378.43 PubChem CID: 46266483

GRADE & PURITY ≥97%

Synonyms

1019158-02-1 | 2-(4-METHOXYPHENYL)-1-{[5-(2-NITROPHENYL)FURAN-2-YL]METHYL}PYRROLIDINE | iST2-1 | 2-(4-methoxyphenyl)-1-[[5-(2-nitrophenyl)furan-2-yl]methyl]pyrrolidine | 2-(4-methoxyphenyl)-1-{[5-(2-nitrophenyl)furan-2-yl]methylpyrrolidine | SCHEMBL188622

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1019158-02-1 | 2-(4-METHOXYPHENYL)-1-{[5-(2-NITROPHENYL)FURAN-2-YL]METHYL}PYRROLIDINE | iST2-1 | 2-(4-methoxyphenyl)-1-[[5-(2-nitrophenyl)furan-2-yl]methyl]pyrrolidine | 2-(4-methoxyphenyl)-1-{[5-(2-nitrophenyl)furan-2-yl]methylpyrrolidine | SCHEMBL188622

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: COC1=CC=C(C=C1)C2CCCN2CC3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]
• IUPAC Name: 2-(4-methoxyphenyl)-1-[[5-(2-nitrophenyl)furan-2-yl]methyl]pyrrolidine
• InChIKey: RBVNERPDMZVXIP-UHFFFAOYSA-N
• INCHI: 1S/C22H22N2O4/c1-27-17-10-8-16(9-11-17)20-7-4-14-23(20)15-18-12-13-22(28-18)19-5-2-3-6-21(19)24(25)26/h2-3,5-6,8-13,20H,4,7,14-15H2,1H3
• Isómeros SMILES: COC1=CC=C(C=C1)C2CCCN2CC3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]
• PubChem CID: 46266483
• Peso molecular: 378.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines
      • Subclass Phenylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Phenylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrrolidines
• Alternative Parents: Nitrobenzenes Anisoles Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Aralkylamines N-alkylpyrrolidines Pyrroles Furans Heteroaromatic compounds Trialkylamines Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic oxides Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylpyrrolidine - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - N-alkylpyrrolidine - Benzenoid - Furan - Heteroaromatic compound - Pyrrole - Tertiary amine - Tertiary aliphatic amine - C-nitro compound - Organic nitro compound - Ether - Oxacycle - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic salt - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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: 378.400 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 378.158 Da
• Monoisotopic Mass: 378.158 Da
• Topological Polar Surface Area: 71.400 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 517.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1