2-Chloro-6-fluorophenethylamine - ≥95% , CAS No.149488-93-7

CAS: 149488-93-7 Cat. No.: B299928 분자식: C₈H₉ClFN 분자량: 173.62

GRADE & PURITY ≥95%

Synonyms

149488-93-7|2-CHLORO-6-FLUOROPHENETHYLAMINE|2-(2-chloro-6-fluorophenyl)ethanamine|Benzeneethanamine, 2-chloro-6-fluoro-|2-(2-Chloro-6-fluorophenyl)ethan-1-amine|2-(2-chloro-6-fluorophenyl)ethylamine|CHEMBL452901|SCHEMBL1197584|DTXSID10370120|NNEMMAAHBKHXL

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

동의어

149488-93-7 | 2-CHLORO-6-FLUOROPHENETHYLAMINE | 2-(2-chloro-6-fluorophenyl)ethanamine | Benzeneethanamine, 2-chloro-6-fluoro- | 2-(2-Chloro-6-fluorophenyl)ethan-1-amine | 2-(2-chloro-6-fluorophenyl)ethylamine | CHEMBL452901 | SCHEMBL1197584 | DTXSID10370120 | NNEMMAAHBKHXL

사양 및 순도

≥95%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥95%

이름과 식별자

Pubchem Sid

528756923

정식 스마일

C1=CC(=C(C(=C1)Cl)CCN)F

IUPAC Name

2-(2-chloro-6-fluorophenyl)ethanamine

InChIKey

NNEMMAAHBKHXLP-UHFFFAOYSA-N

INCHI

1S/C8H9ClFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4-5,11H2

이성체 SMILES

C1=CC(=C(C(=C1)Cl)CCN)F

분자량

173.62

Reaxy-Rn

7422995

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7422995&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: 2-arylethylamines Fluorobenzenes Chlorobenzenes Aralkylamines Aryl fluorides Aryl chlorides Organopnictogen compounds Organofluorides Organochlorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenethylamine - 2-arylethylamine - Chlorobenzene - Fluorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Aryl fluoride - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Primary aliphatic amine - Amine - Primary amine - Hydrocarbon derivative - Organopnictogen compound - 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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 173.610 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 173.041 Da
• Monoisotopic Mass: 173.041 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 121.000
• 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