Bis-tris-d₁₉ - ≥98 atom% D,≥98% , CAS No.352534-93-1

CAS: 352534-93-1 Cat. No.: B472135 Fórmula: (DOCD₂CD₂)₂NC(CD₂OD)₃ Peso molecular: 228.36 Número CE: 686-138-8

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

Bis-tris-d19, 98 atom % D, 98% (CP) | 1,1,3,3-tetradeuterio-1,3-dideuteriooxy-2-[dideuterio(deuteriooxy)methyl]-N,N-bis(1,1,2,2-tetradeuterio-2-deuteriooxyethyl)propan-2-amine | D99015 | 2,2-BIS(HYDROXYMETHYL)-2,2',2''-NITRILOTRIETHANOL-D19 | 2-{Bis[2-(~2

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

Bis-tris-d19, 98 atom % D, 98% (CP) | 1,1,3,3-tetradeuterio-1,3-dideuteriooxy-2-[dideuterio(deuteriooxy)methyl]-N,N-bis(1,1,2,2-tetradeuterio-2-deuteriooxyethyl)propan-2-amine | D99015 | 2,2-BIS(HYDROXYMETHYL)-2,2',2''-NITRILOTRIETHANOL-D19 | 2-{Bis[2-(~2

Especificações e pureza

≥98 atom% D,≥98%

Condições de armazenamento de armazenamento

Protected from light,Room temperature,Argon charged

Enviado em

Normal

Pureza

≥98 atom% D,≥98%

Nomes e identificadores

• Pubchem Sid: 488199273
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199273
• Sorrisos canónicos: C(CO)N(CCO)C(CO)(CO)CO
• IUPAC Name: 1,1,3,3-tetradeuterio-1,3-dideuteriooxy-2-[dideuterio(deuteriooxy)methyl]-N,N-bis(1,1,2,2-tetradeuterio-2-deuteriooxyethyl)propan-2-amine
• InChIKey: OWMVSZAMULFTJU-ZMHMTVDGSA-N
• INCHI: 1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2/i1D2,2D2,3D2,4D2,5D2,6D2,7D2,10D,11D,12D,13D,14D
• SMILES isoméricas: [2H]C([2H])(C([2H])([2H])O[2H])N(C([2H])([2H])C([2H])([2H])O[2H])C(C([2H])([2H])O[2H])(C([2H])([2H])O[2H])C([2H])([2H])O[2H]
• Peso molecular: 228.36
• Reaxy-Rn: 2205275
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2205275&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,2-aminoalcohols

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Alkanolamines
• Direct Parent: 1,2-aminoalcohols
• Alternative Parents: Trialkylamines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.
• 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

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive；Light sensitive
• Ponto de inflamação (°F): Not applicable
• Ponto de inflamação (°C): Not applicable
• Ponto de fusão (°C): 104℃ (lit.)
• Peso molecular: 228.360 g/mol
• XLogP3: -3.300
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 228.246 Da
• Monoisotopic Mass: 228.246 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 125.000
• Isotope Atom Count: 19
• 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