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

CAS: 15299-99-7 Cat. No.: D114517 Formula: C₁₇H₂₁NO Peso molecolare: 271.35 Beilstein Registry Number: 6809160 Numero 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

Sinonimi

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,

Specifiche e purezza

analytical standard

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Standard analitico

Nomi e identificatori

• Pubchem Sid: 528775435
• Sorrisi canonici: 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
• Isomeri SMILES: CCN(CC)C(=O)C(C)OC1=CC=CC2=CC=CC=C21
• WGK Germania: 2
• RTECS: UE3600000
• Peso molecolare: 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
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 73-78°C
• Peso molecolare: 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

Riferimenti

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]