Propamocarb - analytical standard, ≥99% , CAS No.24579-73-5

CAS: 24579-73-5 Cat. No.: P115119 Summenformel: C₉H₂₀N₂O₂ Molekulargewicht: 188.27 Beilstein Registry Number: 2080745 EG-Nummer: 607-406-2

GRADE & PURITY Analytical standard, ≥99%

Synonyms

3-(4-tert-Butylphenyl)-3-oxo-propionicacidmethylester | PROPOMOCARB | PROPAMOCARB [ISO] | Q1927058 | Propamocarb 10 microg/mL in Acetonitrile | DTXSID1040295 | FT-0630513 | HY-B2026 | PROPYL N-(3-(DIMETHYLAMINO)PROPYL)CARBAMATE | EPA Pesticide Chemical Co

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

3-(4-tert-Butylphenyl)-3-oxo-propionicacidmethylester | PROPOMOCARB | PROPAMOCARB [ISO] | Q1927058 | Propamocarb 10 microg/mL in Acetonitrile | DTXSID1040295 | FT-0630513 | HY-B2026 | PROPYL N-(3-(DIMETHYLAMINO)PROPYL)CARBAMATE | EPA Pesticide Chemical Co

Spezifikationen & Reinheit

analytical standard, ≥99%

Storage

Room temperature

Verschickt in

Normal

Note

Analytischer Standard

Reinheit

≥99%

Namen und Kennungen

• Pubchem Sid: 528776402
• Kanonisches Lächeln: CCCOC(=O)NCCCN(C)C
• IUPAC Name: propyl N-[3-(dimethylamino)propyl]carbamate
• InChIKey: WZZLDXDUQPOXNW-UHFFFAOYSA-N
• INCHI: 1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12)
• Isomere SMILES: CCCOC(=O)NCCCN(C)C
• Molekulargewicht: 188.27
• Beilstein: 2080745
• Reaxy-Rn: 2080745
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2080745&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Carbamic acids and derivatives
            • Ebene7 Carbamate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Carbamic acids and derivatives
• Direct Parent: Carbamate esters
• Alternative Parents: Trialkylamines Organic carbonic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbamic acid ester - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as carbamate esters. These are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic acids.
• External Descriptors: Carbamate fungicides

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Flammpunkt (°C): >100°C
• Schmelzpunkt (°C): 45-55°C
• Molekulargewicht: 188.270 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 188.152 Da
• Monoisotopic Mass: 188.152 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 138.000
• 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

Referenzen

1. Shengnan Li, Zedong Wu, Chunhong Liu, Lianxue Fan, Yongheng He, Ke Lu, Dajun Liu, Guojun Feng.  (2022)  Overexpression of CsGSH2 Alleviates Propamocarb Residues and Phytotoxicity in Cucumber by Enhancing Antioxidant and Glutathione Detoxification Properties.  Agriculture-Basel,  12  (10): (1528).  [PMID:] [10.3390/agriculture12101528]

2. Cuiyuan Jin, You Weng, Yi Zhang, Zhiwei Bao, Guiling Yang, Zhengwei Fu, Yuanxiang Jin.  (2021)  Propamocarb exposure has the potential to accelerate the formation of atherosclerosis in both WT and ApoE−/− mice accompanied by gut microbiota dysbiosis.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:34426332] [10.1016/j.scitotenv.2021.149602]

3. Yi Zhang, Cuiyuan Jin, Xiaoyu Wang, Manlu Shen, Jiajie Zhou, Sisheng Wu, Zhengwei Fu, Yuanxiang Jin.  (2018)  Propamocarb exposure decreases the secretion of neurotransmitters and causes behavioral impairments in mice.  ENVIRONMENTAL TOXICOLOGY,  34  (1): (22-29).  [PMID:30251769] [10.1002/tox.22653]

4. Sisheng Wu, Ting Luo, Siyu Wang, Jicong Zhou, Yingchun Ni, Zhengwei Fu, Yuanxiang Jin.  (2018)  Chronic exposure to fungicide propamocarb induces bile acid metabolic disorder and increases trimethylamine in C57BL/6J mice.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:29906725] [10.1016/j.scitotenv.2018.06.084]

5. Sisheng Wu, Cuiyuan Jin, Yueyi Wang, Zhengwei Fu, Yuanxiang Jin.  (2017)  Exposure to the fungicide propamocarb causes gut microbiota dysbiosis and metabolic disorder in mice.  ENVIRONMENTAL POLLUTION,      [PMID:29137890] [10.1016/j.envpol.2017.10.129]

6. Ma Rong, Yu Shuangshuang, Li Yafang, Lin Yan, Ma Xiaodong.  (2024)  Enhancing the efficiency of polypyrrole-dodecylbenzene sulfonic acid in-tube solid-phase microextraction coating for analysis of nitrogen-containing pesticides in water environments.  Frontiers in Environmental Science,      [PMID:] [10.3389/fenvs.2024.1350170]