2-Furanethanamine - ≥97% , CAS No.1121-46-6

CAS: 1121-46-6 Cat. No.: A341735 분자식: C₆H₉NO 분자량: 111.14 EC 번호: 601-166-2

GRADE & PURITY ≥97%

Synonyms

2-(2-Aminoethyl)furane | 2-(2-furyl)ethanamine | 2-(2-Furyl)ethanamine, AldrichCPR | 2-(furan-2-yl)ethanamine | HMS1730K02 | 2-(2-furyl)ethanamine;2-Furanethanamine | Q27455516 | AM20080071 | ZQSLNSHMUQXSQJ-UHFFFAOYSA-N | AKOS000200580 | MFCD04113973 | 2-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

2-(2-Aminoethyl)furane | 2-(2-furyl)ethanamine | 2-(2-Furyl)ethanamine, AldrichCPR | 2-(furan-2-yl)ethanamine | HMS1730K02 | 2-(2-furyl)ethanamine;2-Furanethanamine | Q27455516 | AM20080071 | ZQSLNSHMUQXSQJ-UHFFFAOYSA-N | AKOS000200580 | MFCD04113973 | 2-

사양 및 순도

≥97%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥97%

이름과 식별자

• Pubchem Sid: 528756349
• 정식 스마일: C1=COC(=C1)CCN
• IUPAC Name: 2-(furan-2-yl)ethanamine
• InChIKey: ZQSLNSHMUQXSQJ-UHFFFAOYSA-N
• INCHI: 1S/C6H9NO/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2
• 이성체 SMILES: C1=COC(=C1)CCN
• 분자량: 111.14
• Reaxy-Rn: 106959
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106959&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 분류 Organonitrogen compounds
      • Subclass Amines
        • Level5 Primary amines
          • Level6 2-arylethylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Primary amines
• Direct Parent: 2-arylethylamines
• Alternative Parents: Aralkylamines Heteroaromatic compounds Furans Oxacyclic compounds Organopnictogen compounds Organooxygen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-arylethylamine - Aralkylamine - Heteroaromatic compound - Furan - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Primary aliphatic amine - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as 2-arylethylamines. These are primary amines that have the general formula RCCNH2, where R is an organic group.
• 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(비인간)

Pseudomonas aeruginosa (123386 Activities)

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

작용 메커니즘

화학 및 물리적 특성

• 끓는점(°C): ~162.5° C at 760 mmHg (Predicted)
• 녹는점(°C): 3.88° C (Predicted)
• 분자량: 111.140 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 111.068 Da
• Monoisotopic Mass: 111.068 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 65.500
• 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