1-Amino-9-fluorenone - ≥97% , CAS No.6344-62-3

CAS: 6344-62-3 Cat. No.: A469481 Molecular Weight: 195.22 EC Number: 228-748-5

GRADE & PURITY ≥97%

Synonyms

9H-Fluoren-9-one, 1-amino- | EINECS 228-748-5 | 1-Amino-9-fluorenone | MFCD00057971 | UNII-C5CL9U2GZY | 1-Amino-fluoren-9-one | 1-Aminofluoren-9-one | Maybridge1_002094 | Fluoren-9-one, 1-amino- | C5CL9U2GZY | 1-Aminofluoren-9-on | O10371 | 1-Amino-9H-flu

Storage

Room temperature

Specifications

Synonyms

9H-Fluoren-9-one, 1-amino- | EINECS 228-748-5 | 1-Amino-9-fluorenone | MFCD00057971 | UNII-C5CL9U2GZY | 1-Amino-fluoren-9-one | 1-Aminofluoren-9-one | Maybridge1_002094 | Fluoren-9-one, 1-amino- | C5CL9U2GZY | 1-Aminofluoren-9-on | O10371 | 1-Amino-9H-flu

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)C3=C(C2=O)C(=CC=C3)N
• IUPAC Name: 1-aminofluoren-9-one
• InChIKey: KSEPMOMKAQKOSM-UHFFFAOYSA-N
• INCHI: 1S/C13H9NO/c14-11-7-3-6-9-8-4-1-2-5-10(8)13(15)12(9)11/h1-7H,14H2
• Isomeric SMILES: C1=CC=C2C(=C1)C3=C(C2=O)C(=CC=C3)N
• WGK Germany: 3
• Molecular Weight: 195.22
• Reaxy-Rn: 2365886
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2365886&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Aryl ketones Vinylogous amides Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Aryl ketone - Vinylogous amide - Ketone - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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

Associated Targets(Human)

ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

Discover Target: ADORA1

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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 118-120℃
• Molecular Weight: 195.220 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 195.068 Da
• Monoisotopic Mass: 195.068 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 276.000
• 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

References

1. Yifan Li, Jiahui Li, Wenhao Zhang, Qiyun Lin, Lingcheng Chen, Zhihuan Weng, Yi Xiao.  (2024)  Rigid and crosslinkable polyimide curing epoxy resin with enhanced comprehensive performances.  POLYMER,      [PMID:] [10.1016/j.polymer.2024.126836]