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

CAS: 102-71-6 Cat. No.: T108151 Formule: C₆H₁₅NO₃ Poids moléculaire: 149.19 Beilstein Registry Number: 1699263 Numéro CE: 203-049-8

QUALITÉ & PURETÉ 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

Spécifications

Synonymes

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-

Spécifications et pureté

AR

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

Normal

Grade

AR

Noms et identifiants

Pubchem Sid

508811454

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

C(CO)N(CCO)CCO

WGK Allemagne

1

RTECS

KL9275000

Poids moléculaire

149.19

Beilstein

1699263

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
• Description: 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

Cibles associées (humaines)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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Candida albicans (78123 Activities)

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Human immunodeficiency virus 1 (70413 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Easily soluble in water.
• Sensibilité: Light sensitive.
• Indice de réfraction: 1.485
• Point d'éclair (°F): 354.2℉
• Point d'éclair (°C): 179°C
• Point d'ébullition (°C): 190-193°C
• Point de fusion (°C): 17.9-21°C
• Poids moléculaire: 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