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

CAS: 1215576-01-4 Cat. No.: D352116 Molecular Weight: 201.33 EC Number: 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

Overview

Deet-d10 is an insect repellent.

Specifications

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

Specifications & Purity

≥98 atom% D, ≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98 atom% D, ≥95%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])([2H])N(C(=O)C1=CC=CC(=C1)C)C([2H])([2H])C([2H])([2H])[2H]
• Alternate CAS: 134-62-3（unlabelled）
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Toluenes
        • Level5 Toluamides
          • Level6 m-Toluamides
            • Level7 N,N-dialkyl-m-toluamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in Water
• Sensitivity: moisture sensitive
• Molecular Weight: 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