Fenpropidin - analytical standard , CAS No.67306-00-7

CAS: 67306-00-7 Cat. No.: F114476 Peso molecular: 273.46 Beilstein Registry Number: 5336091 Número EC: 614-049-6

GRADE & PURITY Analytical standard

Synonyms

DB12728 | Ro-12-3049 | Ro12-3049 | 3P6DG2B57G | BDBM50487255 | FENPROPIDIN [MI] | Fenpropidine [ISO-French] | 1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine | BEP1A791CI | 1-(3-(4-(tert-butyl)phenyl)-2-methylpropyl)piperidine | DTXSID9058157 | Fenpro

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DB12728 | Ro-12-3049 | Ro12-3049 | 3P6DG2B57G | BDBM50487255 | FENPROPIDIN [MI] | Fenpropidine [ISO-French] | 1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine | BEP1A791CI | 1-(3-(4-(tert-butyl)phenyl)-2-methylpropyl)piperidine | DTXSID9058157 | Fenpro

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Analytical standard

Nombres e identificadores

• Sonrisas canónicas: CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2
• IUPAC Name: 1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine
• InChIKey: MGNFYQILYYYUBS-UHFFFAOYSA-N
• INCHI: 1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3
• Isómeros SMILES: CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2
• RTECS: TM7292000
• Peso molecular: 273.46
• Beilstein: 5336091
• Reaxy-Rn: 1245248
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1245248&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Aralkylamines Piperidines Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpropane - Aralkylamine - Piperidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• External Descriptors: Pesticides

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

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 100℃
• Peso molecular: 273.500 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 273.246 Da
• Monoisotopic Mass: 273.246 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 264.000
• 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

Referencias

1. Haoyu Lei, Yuling Hu, Gongke Li.  (2018)  Magnetic poly(phenylene ethynylene) conjugated microporous polymer microspheres for bactericides enrichment and analysis by ultra-high performance liquid chromatography-tandem mass spectrometry.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:30384964] [10.1016/j.chroma.2018.10.043]