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

CAS: 89981-75-9 Cat. No.: D154339 Formule: C₈H₉Cl₂N Poids moléculaire: 190.07 Numéro 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

Synonymes

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

Spécifications et pureté

≥98%(GC)(T)

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%(GC)(T)

Noms et identifiants

Pubchem Sid

488193433

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

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
• Description: 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

Cibles associées (humaines)

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

Cibles associées (non humaines)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Air sensitive
• Indice de réfraction: 1.56
• Point d'ébullition (°C): 132°C/15mmHg(lit.)
• Poids moléculaire: 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

Foire aux questions

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.