(R)-1-(3,5-Difluorophenyl)ethanamine - ≥97% , CAS No.771465-40-8

CAS: 771465-40-8 Cat. No.: E731841 分子式: C₈H₉F₂N 分子量: 157.16

GRADE & PURITY ≥97%

Synonyms

(1R)-1-(3,5-Difluorophenyl)ethylamine | (R)-3,5-Difluoro-alpha-methylbenzylamine

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

同義語

(1R)-1-(3,5-Difluorophenyl)ethylamine | (R)-3,5-Difluoro-alpha-methylbenzylamine

仕様と純度

≥97%

保管条件

Store at 2-8°C,Protected from light,Argon charged,Desiccated

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

カノニカル・スマイル

CC(C1=CC(=CC(=C1)F)F)N

IUPAC Name

(1R)-1-(3,5-difluorophenyl)ethanamine

InChIKey

XTIXPIMMHGCRJD-RXMQYKEDSA-N

INCHI

1S/C8H9F2N/c1-5(11)6-2-7(9)4-8(10)3-6/h2-5H,11H2,1H3/t5-/m1/s1

異性体SMILES

C[C@H](C1=CC(=CC(=C1)F)F)N

分子量

157.16

Reaxy-Rn

13674744

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13674744&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aralkylamines Aryl fluorides Organofluorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aralkylamine - Fluorobenzene - Aryl halide - Aryl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• 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

化学的性質と物理的性質

• 分子量: 157.160 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 157.07 Da
• Monoisotopic Mass: 157.07 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: 1
• 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