1-(2,4-Dichlorophenyl)ethylamine - ≥98%(GC)(T) , CAS No.89981-75-9

CAS: 89981-75-9 Cat. No.: D154339 Fórmula: C₈H₉Cl₂N Peso molecular: 190.07 Número CE: 639-962-7

GRADE & PURITY ≥98%(GC)(T)

Synonyms

J-502115 | AS-12440 | N11937 | 2,4-Dichloro-alpha-methylbenzylamine | MFCD05215236 | Benzenemethanamine, 2,4-dichloro-alpha-methyl-, (alphaS)- | OUVZHZAOWDHBOU-UHFFFAOYSA-N | 1-(2',4'-DICHLOROPHENYL)ETHYLAMINE | 1-(2,4-Dichlorophenyl)ethylamine | 1-(2,4-D

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

J-502115 | AS-12440 | N11937 | 2,4-Dichloro-alpha-methylbenzylamine | MFCD05215236 | Benzenemethanamine, 2,4-dichloro-alpha-methyl-, (alphaS)- | OUVZHZAOWDHBOU-UHFFFAOYSA-N | 1-(2',4'-DICHLOROPHENYL)ETHYLAMINE | 1-(2,4-Dichlorophenyl)ethylamine | 1-(2,4-D

Especificações e pureza

≥98%(GC)(T)

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥98%(GC)(T)

Nomes e identificadores

Pubchem Sid

488193433

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488193433

Sorrisos canónicos

CC(C1=C(C=C(C=C1)Cl)Cl)N

IUPAC Name

1-(2,4-dichlorophenyl)ethanamine

InChIKey

OUVZHZAOWDHBOU-UHFFFAOYSA-N

INCHI

1S/C8H9Cl2N/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5H,11H2,1H3

SMILES isoméricas

CC(C1=C(C=C(C=C1)Cl)Cl)N

Peso molecular

190.07

Reaxy-Rn

2717183

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2717183&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aralkylamines Aryl chlorides Organopnictogen compounds Organochlorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Aralkylamine - Aryl halide - Aryl chloride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

Alvos associados (humanos)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

HTT Tchem Huntingtin (19182 Activities)

Discover Target: HTT

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

Alvos associados (não humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Air sensitive
• Índice de refração: 1.56
• Ponto de ebulição (°C): 132°C/15mmHg(lit.)
• Peso molecular: 190.070 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 189.011 Da
• Monoisotopic Mass: 189.011 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 129.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 89981-75-9, the molecular formula is C8H9Cl2N, and the molecular weight is 190.07 g/mol. InChIKey OUVZHZAOWDHBOU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.