DEET-d10 - ≥98 atom% D,≥95% , CAS No.1215576-01-4

CAS: 1215576-01-4 Cat. No.: D352116 Peso molecular: 201.33 Número EC: 808-366-0

GRADE & PURITY ≥98 atom% D,≥95%

Synonyms

DTXSID80675659 | N,N-Bis[(~2~H_5_)ethyl]-3-methylbenzamide | N,N-(Diethyl-d10)-3-methylbenzamide | Diethyltoluamide-d10 | 3-methyl-N,N-bis(1,1,2,2,2-pentadeuterioethyl)benzamide | DEET-(diethyl-d10), PESTANAL(R), analytical standard | AKOS037645388

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Deet-d10 is an insect repellent.

Specifications

Sinónimos

DTXSID80675659 | N, N-Bis[(~2~H_5_)ethyl]-3-methylbenzamide | N, N-(Diethyl-d10)-3-methylbenzamide | Diethyltoluamide-d10 | 3-methyl-N, N-bis(1, 1, 2, 2, 2-pentadeuterioethyl)benzamide | DEET-(diethyl-d10), PESTANAL(R), analytical standard | AKOS037645388

Especificaciones y pureza

≥98 atom% D, ≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98 atom% D, ≥95%

Nombres e identificadores

• Sonrisas canónicas: CCN(CC)C(=O)C1=CC=CC(=C1)C
• IUPAC Name: 3-methyl-N,N-bis(1,1,2,2,2-pentadeuterioethyl)benzamide
• InChIKey: MMOXZBCLCQITDF-IZUSZFKNSA-N
• INCHI: 1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3/i1D3,2D3,4D2,5D2
• Isómeros SMILES: [2H]C([2H])([2H])C([2H])([2H])N(C(=O)C1=CC=CC(=C1)C)C([2H])([2H])C([2H])([2H])[2H]
• CAS alternativo: 134-62-3（unlabelled）
• Peso molecular: 201.33
• Reaxy-Rn: 2046711
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2046711&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Toluenes
        • Level5 Toluamides
          • Level6 m-Toluamides
            • Level7 N,N-dialkyl-m-toluamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Toluamides - m-Toluamides
• Direct Parent: N,N-dialkyl-m-toluamides
• Alternative Parents: Benzamides Benzoyl derivatives Tertiary carboxylic acid amides Tertiary amines Amino acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N,n-dialkyl-m-toluamide - Benzamide - Benzoic acid or derivatives - Benzoyl - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Carboxamide group - Carboxylic acid derivative - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n,n-dialkyl-m-toluamides. These are aromatic that contain a m-toluamide, where the carboxamide group is N- substituted with two alkyl chains.
• External Descriptors: Not available

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

Propiedades químicas y físicas

• Solubilidad: Soluble in Water
• Sensibilidad: moisture sensitive
• Peso molecular: 201.330 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 201.194 Da
• Monoisotopic Mass: 201.194 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 187.000
• Isotope Atom Count: 10
• 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