(S)-1-(3,5-Difluorophenyl)ethanamine - ≥95% , CAS No.444643-16-7

CAS: 444643-16-7 Cat. No.: E690704 분자식: C₈H₉F₂N 분자량: 157.16

GRADE & PURITY ≥95%

Synonyms

Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaS)- (9CI) | (1S)-1-(3,5-Difluorophenyl)ethan-1-amine

Storage

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

Shipped In

Wet ice

Specifications

동의어

Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaS)- (9CI) | (1S)-1-(3,5-Difluorophenyl)ethan-1-amine

사양 및 순도

≥95%

보관 조건

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

배송

Wet ice

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순수함

≥95%

이름과 식별자

• 정식 스마일: CC(C1=CC(=CC(=C1)F)F)N
• IUPAC Name: (1S)-1-(3,5-difluorophenyl)ethanamine
• InChIKey: XTIXPIMMHGCRJD-YFKPBYRVSA-N
• INCHI: 1S/C8H9F2N/c1-5(11)6-2-7(9)4-8(10)3-6/h2-5H,11H2,1H3/t5-/m0/s1
• 이성체 SMILES: C[C@@H](C1=CC(=CC(=C1)F)F)N
• 분자량: 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
    • 분류 Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: light and moisture sensitive
• 분자량: 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, desiccated, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 444643-16-7, the molecular formula is C8H9F2N, and the molecular weight is 157.16 g/mol. InChIKey XTIXPIMMHGCRJD-YFKPBYRVSA-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.