Napropamid - analytical standard , CAS No.15299-99-7

CAS: 15299-99-7 Cat. No.: D114517 Fórmula: C₁₇H₂₁NO Peso molecular: 271.35 Beilstein Registry Number: 6809160 Número EC: 239-333-3

GRADE & PURITY Analytical standard

Synonyms

NCGC00259373-01 | DEVRINOL [HSDB] | Propanamide, N,N-diethyl-2-(1-naphthalenyloxy)- | SY276679 | InChI=1/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3 | N,N-Diethyl-2-(1-naphthalenyloxy)propionamide | Propionamide,

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

NCGC00259373-01 | DEVRINOL [HSDB] | Propanamide, N,N-diethyl-2-(1-naphthalenyloxy)- | SY276679 | InChI=1/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3 | N,N-Diethyl-2-(1-naphthalenyloxy)propionamide | Propionamide,

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Patrón analítico

Nombres e identificadores

• Pubchem Sid: 528775435
• Sonrisas canónicas: CCN(CC)C(=O)C(C)OC1=CC=CC2=CC=CC=C21
• IUPAC Name: N,N-diethyl-2-naphthalen-1-yloxypropanamide
• InChIKey: WXZVAROIGSFCFJ-UHFFFAOYSA-N
• INCHI: 1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3
• Isómeros SMILES: CCN(CC)C(=O)C(C)OC1=CC=CC2=CC=CC=C21
• WGK Alemania: 2
• RTECS: UE3600000
• Peso molecular: 271.35
• Beilstein: 6809160
• Reaxy-Rn: 2217870
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2217870&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Alkyl aryl ethers Tertiary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Alkyl aryl ether - Tertiary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• External Descriptors: Amide herbicides

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

Objetivos asociados (humanos)

AR Tclin Androgen Receptor (11781 Activities)

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VDR Tclin Vitamin D receptor (26531 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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Objetivos asociados (no humanos)

Arabidopsis thaliana (307 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Cucumis sativus (803 Activities)

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Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

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KCS20 3-ketoacyl-CoA synthase 19 (14 Activities)

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FAE1 3-ketoacyl-CoA synthase 18 (15 Activities)

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KCS2 3-ketoacyl-CoA synthase 17 (12 Activities)

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KCS5 3-ketoacyl-CoA synthase 5 (12 Activities)

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KCS17 Probable 3-ketoacyl-CoA synthase 2 (12 Activities)

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KCS1 3-ketoacyl-CoA synthase 1 (12 Activities)

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Trianthema (24 Activities)

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Boerhavia erecta (24 Activities)

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Portulaca oleracea (78 Activities)

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Amaranthus dubius (24 Activities)

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Hordeum vulgare (329 Activities)

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Digitaria (171 Activities)

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Corynandra viscosa (24 Activities)

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Cyperus (12 Activities)

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Poaceae (20 Activities)

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Eleusine indica (140 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 73-78°C
• Peso molecular: 271.350 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 271.157 Da
• Monoisotopic Mass: 271.157 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 314.000
• 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. Yucong Zheng, Dongxian Zhang, Zhuanzhuan Sun, Qian Yang, Ying Liu, Ting Cao, Rong Chen, Mawuli Dzakpasu, Xiaochang C. Wang.  (2022)  Stereoselective degradation pathway of amide chiral herbicides and its impacts on plant and bacterial communities in integrated vertical flow constructed wetlands.  BIORESOURCE TECHNOLOGY,      [PMID:35292382] [10.1016/j.biortech.2022.126997]

2. Jing Zhao, Zhaorui Meng, Zexin Zhao, Longshan Zhao.  (2019)  Ultrasound-assisted deep eutectic solvent as green and efficient media combined with functionalized magnetic multi-walled carbon nanotubes as solid-phase extraction to determine pesticide residues in food products.  FOOD CHEMISTRY,      [PMID:31835214] [10.1016/j.foodchem.2019.125863]

3. Yingjie Li, Yimin Tang, Shili Qin, Xue Li, Qiang Dai, Lidi Gao.  (2019)  Preparation and characterization of a new open-tubular capillary column for enantioseparation by capillary electrochromatography.  CHIRALITY,  31  (4): (283-292).  [PMID:30693982] [10.1002/chir.23053]