Triethyl-d₁₅-amine - ≥98 atom% D,≥98% , CAS No.66688-79-7

CAS: 66688-79-7 Cat. No.: T472142 分子式: (C₂D₅)₃N 分子量: 116.28 EC番号: 633-168-4

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

DTXSID50583737 | 1,1,2,2,2-pentadeuterio-N,N-bis(1,1,2,2,2-pentadeuterioethyl)ethanamine | Triethyl-d15-amine, 98 atom % D, 98% (CP) | TRIETHYLAMINE-D15 | D98114 | Triethyl-d15-amine | SCHEMBL1332728 | N,N-Bis[(~2~H_5_)ethyl](~2~H_5_)ethanamine

Storage

Room temperature

Specifications

同義語

DTXSID50583737 | 1,1,2,2,2-pentadeuterio-N,N-bis(1,1,2,2,2-pentadeuterioethyl)ethanamine | Triethyl-d15-amine, 98 atom % D, 98% (CP) | TRIETHYLAMINE-D15 | D98114 | Triethyl-d15-amine | SCHEMBL1332728 | N,N-Bis[(~2~H_5_)ethyl](~2~H_5_)ethanamine

仕様と純度

≥98 atom% D,≥98%

保管条件

Room temperature

純度

≥98 atom% D,≥98%

名前と識別子

カノニカル・スマイル

CCN(CC)CC

IUPAC Name

1,1,2,2,2-pentadeuterio-N,N-bis(1,1,2,2,2-pentadeuterioethyl)ethanamine

InChIKey

ZMANZCXQSJIPKH-NLBPYYKNSA-N

INCHI

1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3/i1D3,2D3,3D3,4D2,5D2,6D2

異性体SMILES

[2H]C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])[2H]

代替CAS番号

121-44-8 （unlabeled）

UN番号

1296

包装グループ

II

分子量

116.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Trialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Trialkylamines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen.
• 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

化学的性質と物理的性質

• 沸点（°C）: 88.8° C (lit.)
• 融点（°C）: -115° C
• 分子量: 116.280 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 116.215 Da
• Monoisotopic Mass: 116.215 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 25.700
• Isotope Atom Count: 15
• 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