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

CAS: 1215576-01-4 Cat. No.: D352116 분자식: C₁₂H₇D₁₀NO 분자량: 201.33 EC 번호: 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

개요

Deet-d10 is an insect repellent.

Specifications

동의어

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

사양 및 순도

≥98 atom% D,≥95%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98 atom% D,≥95%

이름과 식별자

• Pubchem Sid: 508810472
• 정식 스마일: 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
• 이성체 SMILES: [2H]C([2H])([2H])C([2H])([2H])N(C(=O)C1=CC=CC(=C1)C)C([2H])([2H])C([2H])([2H])[2H]
• 대체 CAS: 134-62-3（unlabelled）
• 분자량: 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
    • 분류 Benzene and substituted derivatives
      • Subclass Toluenes
        • Level5 Toluamides
          • Level6 m-Toluamides
            • Level7 N,N-dialkyl-m-toluamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in Water
• 감도: moisture sensitive
• 분자량: 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