Fenobucarb solution - analytical standard, 10ug/ml in acetone , CAS No.3766-81-2

CAS: 3766-81-2 Cat. No.: F110056 Fórmula: C₁₂H₁₇NO₂ Peso molecular: 207.27 Número CE: 223-188-8

GRAU & PUREZA Analytical standard, 10ug/ml in acetone

Synonyms

2-sec-Butylphenyl N-methylcarbamate | Methyl-carbamic acid 2-sec-butyl-phenyl ester | SY110156 | (2-butan-2-ylphenyl) N-methylcarbamate | 5MS2P7M0CF | Fenobucarb | SCHEMBL73674 | Hopcin | Bayer 41637 | FENOBUCARB [ISO] | DIRFUJHNVNOBMY-UHFFFAOYSA- | Fenob

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Especificações

Sinónimos

2-sec-Butylphenyl N-methylcarbamate | Methyl-carbamic acid 2-sec-butyl-phenyl ester | SY110156 | (2-butan-2-ylphenyl) N-methylcarbamate | 5MS2P7M0CF | Fenobucarb | SCHEMBL73674 | Hopcin | Bayer 41637 | FENOBUCARB [ISO] | DIRFUJHNVNOBMY-UHFFFAOYSA- | Fenob

Especificações e pureza

analytical standard, 10ug/ml in acetone

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Padrão analítico

Nomes e identificadores

Pubchem Sid

528769920

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528769920

Sorrisos canónicos

CCC(C)C1=CC=CC=C1OC(=O)NC

IUPAC Name

(2-butan-2-ylphenyl) N-methylcarbamate

InChIKey

DIRFUJHNVNOBMY-UHFFFAOYSA-N

INCHI

1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)

SMILES isoméricas

CCC(C)C1=CC=CC=C1OC(=O)NC

Peso molecular

207.27

Reaxy-Rn

2052332

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2052332&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenyl methylcarbamates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenyl methylcarbamates
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl methylcarbamates
• Alternative Parents: Phenylpropanes Phenoxy compounds Carbamate esters Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenyl methylcarbamate - Phenylpropane - Phenoxy compound - Carbamic acid ester - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenyl methylcarbamates. These are aromatic compounds containing a methylcarbamic acid esterified with a phenyl group.
• External Descriptors: Carbamate insecticides

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

Alvos associados (humanos)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Musca domestica (713 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CACNA1C Voltage-dependent L-type calcium channel subunit alpha-1C (242 Activities)

Discover Target: CACNA1C

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AO-AChE Ace-orthologous acetylcholinesterase (40 Activities)

Discover Target: AO-AChE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Daphnia pulex (4 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Laodelphax striatellus (278 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cheumatopsyche (45 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Light sensitive.
• Peso molecular: 207.270 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 207.126 Da
• Monoisotopic Mass: 207.126 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 206.000
• 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