Triethanolamine - AR , CAS No.102-71-6

CAS: 102-71-6 Cat. No.: T108151 分子式: C₆H₁₅NO₃ 分子量: 149.19 Beilstein Registry Number: 1699263 EC番号: 203-049-8

グレード＆純度 AR

Synonyms

2,2',2''-Nitrilotrisethanol | 2,2',2''-Nitrilotris-Ethanol | 2-[bis(2-hydroxyethyl)amino]ethan-1-ol | Tris(b-hydroxyethyl)amine | Nitrilo-2,2',2quot -triethanol | TRIETHANOLAMINE [INCI] | Alkano | Trolamine [INN] | CHEBI:28621 | Ethanol,2',2''-nitrilotri-

Storage

Protected from light,Room temperature

Shipped In

Normal

仕様

同義語

2,2',2''-Nitrilotrisethanol | 2,2',2''-Nitrilotris-Ethanol | 2-[bis(2-hydroxyethyl)amino]ethan-1-ol | Tris(b-hydroxyethyl)amine | Nitrilo-2,2',2quot -triethanol | TRIETHANOLAMINE [INCI] | Alkano | Trolamine [INN] | CHEBI:28621 | Ethanol,2',2''-nitrilotri-

仕様と純度

AR

保管条件

Protected from light,Room temperature

入荷

Normal

等級

AR

名前と識別子

パブケム・シド

508811454

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/508811454

カノニカル・スマイル

C(CO)N(CCO)CCO

IUPAC Name

2-[bis(2-hydroxyethyl)amino]ethanol

InChIKey

GSEJCLTVZPLZKY-UHFFFAOYSA-N

INCHI

1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2

異性体SMILES

C(CO)N(CCO)CCO

WGKドイツ

1

RTECS

KL9275000

分子量

149.19

Beilstein

1699263

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: 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
• 説明: 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: tertiary amino compound - amino alcohol

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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Easily soluble in water.
• 感度: Light sensitive.
• 屈折率: 1.485
• 引火点（°F）: 354.2℉
• 引火点（°C）: 179°C
• 沸点（°C）: 190-193°C
• 融点（°C）: 17.9-21°C
• 分子量: 149.190 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 149.105 Da
• Monoisotopic Mass: 149.105 Da
• Topological Polar Surface Area: 63.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 55.700
• Isotope Atom Count: 0
• 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