N,N-dimethylethanolamine (DMEA) - ≥99% , CAS No.108-01-0

CAS: 108-01-0 Cat. No.: D109078 Fórmula: C₄H₁₁NO Peso molecular: 89.14 Beilstein Registry Number: 1209235 Número CE: 203-542-8

GRADE & PURITY ≥99%

Synonyms

2-Hydroxyethyldimethylamine | 2-(Dimethylamino)ethanol

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Sinónimos

2-Hydroxyethyldimethylamine | 2-(Dimethylamino)ethanol

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

FedEx DG Service

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

488180604

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180604

Sorrisos canónicos

CN(C)CCO

IUPAC Name

2-(dimethylamino)ethanol

InChIKey

UEEJHVSXFDXPFK-UHFFFAOYSA-N

INCHI

1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3

SMILES isoméricas

CN(C)CCO

WGK Alemanha

1

RTECS

KK6125000

Número UN

2051

Grupo de embalagem

II

Peso molecular

89.14

Beilstein

1209235

Reaxy-Rn

1209235

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209235&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: tertiary amine - ethanolamines

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

Alvos associados (humanos)

CHAT Tchem Choline acetylase (63 Activities)

Discover Target: CHAT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Slc6a8 Creatine transporter (104 Activities)

Discover Target: Slc6a8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Slc5a7 Choline transporter (45 Activities)

Discover Target: Slc5a7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: It is miscible with water and can be mixed with ether and aromatic hydrocarbons.
• Índice de refração: 1.4294
• Ponto de inflamação (°F): 102.2 °F
• Ponto de inflamação (°C): 39 °C
• Ponto de ebulição (°C): 134-136°C
• Ponto de fusão (°C): -70°C
• Peso molecular: 89.140 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 89.0841 Da
• Monoisotopic Mass: 89.0841 Da
• Topological Polar Surface Area: 23.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 28.700
• 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