2-(3,4-Dichlorophenyl)ethylamine - ≥98%(GC) , CAS No.21581-45-3

CAS: 21581-45-3 Cat. No.: D154344 분자식: C₈H₉Cl₂N 분자량: 190.07 EC 번호: 626-552-8

GRADE & PURITY ≥98%(GC)

Synonyms

[2-(3,4-dichlorophenyl)ethyl]amine | 42J | MFCD00060617 | SCHEMBL184185 | BDBM50029105 | 2-(3,4-Dichlorophenyl)ethanamine | (3,4-Dichlorophenyl)ethylamine | 2-(3,4-dichlorophenyl)ethan-1-amine | 8-Azaadenine, >=99% | FT-0650804 | Q27454350 | J-505722 | Z2

Storage

Argon charged,Room temperature

Shipped In

Normal

개요

3,4-Dichlorophenethylamine can be obtained by reacting 3,4-dichlorophenylacetonitrile with suspension of lithium aluminum hydride (LiAlH4) in dry diethyl ether in the presence of N2.
3,4-Dichlorophenethylamine may be used to synthesize N-(3′,4′-dichlorophenyl)ethyl-4-azahexacyclo[5.4.1.02,6.03,10.05,9.08,11]dodecan-3-ol and 2-[2-(3,4-dichlorophenyl)ethylamino]-1-pyridin-3-ylethanol.

Specifications

동의어

[2-(3,4-dichlorophenyl)ethyl]amine | 42J | MFCD00060617 | SCHEMBL184185 | BDBM50029105 | 2-(3,4-Dichlorophenyl)ethanamine | (3,4-Dichlorophenyl)ethylamine | 2-(3,4-dichlorophenyl)ethan-1-amine | 8-Azaadenine, >=99% | FT-0650804 | Q27454350 | J-505722 | Z2

사양 및 순도

≥98%(GC)

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥98%(GC)

이름과 식별자

• Pubchem Sid: 488188637
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188637
• 정식 스마일: C1=CC(=C(C=C1CCN)Cl)Cl
• IUPAC Name: 2-(3,4-dichlorophenyl)ethanamine
• InChIKey: MQPUAVYKVIHUJP-UHFFFAOYSA-N
• INCHI: 1S/C8H9Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3-4,11H2
• 이성체 SMILES: C1=CC(=C(C=C1CCN)Cl)Cl
• WGK 독일: 3
• 분자량: 190.07
• Reaxy-Rn: 2249858
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2249858&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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 - 1,2-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
• 설명: 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

관련 대상(인간)

PNMT Tchem Phenylethanolamine N-methyltransferase (540 Activities)

Discover Target: PNMT

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

관련 대상(비인간)

Taar1 Trace amine-associated receptor 1 (899 Activities)

Discover Target: Taar1

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

작용 메커니즘

화학 및 물리적 특성

• 감도: Air Sensitive
• 굴절률: 1.567
• 발화점(°F): 230 °F
• 발화점(°C): 110°C
• 끓는점(°C): 280°C
• 분자량: 190.070 g/mol
• XLogP3: 3.000
• 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: 119.000
• 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