2-(2,6-Dichlorophenyl)ethylamine - ≥98% , CAS No.14573-23-0

CAS: 14573-23-0 Cat. No.: D154341 Molecular Weight: 190.07 EC Number: 624-034-6

GRADE & PURITY ≥98%

Synonyms

SCHEMBL1570203 | Benzeneethanamine, 2,6-dichloro- | 2,6-Dichloro--phenylethylamine; 2,6-Dichlorophenethylamine | ACIMQXSSGMWVKG-UHFFFAOYSA-N | PD128580 | EN300-52968 | FT-0676385 | 2-(2,6-dichlorophenyl)ethan-1-amine | D2926 | AS-31078 | MFCD00060612 | 2,

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

SCHEMBL1570203 | Benzeneethanamine, 2, 6-dichloro- | 2, 6-Dichloro--phenylethylamine; 2, 6-Dichlorophenethylamine | ACIMQXSSGMWVKG-UHFFFAOYSA-N | PD128580 | EN300-52968 | FT-0676385 | 2-(2, 6-dichlorophenyl)ethan-1-amine | D2926 | AS-31078 | MFCD00060612 | 2,

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488192484
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192484
• Canonical Smiles: C1=CC(=C(C(=C1)Cl)CCN)Cl
• IUPAC Name: 2-(2,6-dichlorophenyl)ethanamine
• InChIKey: ACIMQXSSGMWVKG-UHFFFAOYSA-N
• INCHI: 1S/C8H9Cl2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4-5,11H2
• Isomeric SMILES: C1=CC(=C(C(=C1)Cl)CCN)Cl
• WGK Germany: 3
• Molecular Weight: 190.07
• Reaxy-Rn: 2965004
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2965004&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenethylamines
• Alternative Parents: Dichlorobenzenes 2-arylethylamines Aralkylamines Aryl chlorides Organopnictogen compounds Organochlorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenethylamine - 1,3-dichlorobenzene - 2-arylethylamine - Chlorobenzene - Halobenzene - Aralkylamine - Aryl halide - Aryl chloride - Organopnictogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Organic nitrogen compound - Amine - Primary amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
• 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

Associated Targets(Human)

TAAR1 Tclin Trace amine-associated receptor 1 (1 Activities)

Discover Target: TAAR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air sensitive
• Refractive Index: 1.5670-1.571
• Flash Point(°F): 230 °F
• Flash Point(°C): 110 °C
• Boil Point(°C): 125-129 °C
• Molecular Weight: 190.070 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• 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: 109.000
• 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