2-Aminoanthracene - ≥96% , CAS No.613-13-8

CAS: 613-13-8 Cat. No.: A151442 Summenformel: C₁₄H₁₁N Molekulargewicht: 193.25 EG-Nummer: 210-330-9

QUALITÄT & REINHEIT ≥96%

Synonyms

2-ANTHRACENAMINE | SMR001307303 | 2-Anthramine | YCSBALJAGZKWFF-UHFFFAOYSA- | AKOS004904683 | Anthracene, 2-amino | .beta.-Aminoanthracene | BRN 2209414 | InChI=1/C14H11N/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,15H2 | NCGC00091622-03 | Q268411

Storage

Room temperature,Argon charged

Shipped In

Normal

Übersicht

2-Aminoanthracene can be used as a reactant to prepare:

·  Steroid derived naphthoquinoline asphaltene compounds via multicomponent cyclocondensation reaction with 5-α-cholestan-3-one and aromatic aldehydes.

·  Naphtho[2,3- f ]quinoline derivatives by reacting with aromatic aldehyde and acetone or acetophenone catalyzed by iodine.

Spezifikationen

Synonyme

2-ANTHRACENAMINE | SMR001307303 | 2-Anthramine | YCSBALJAGZKWFF-UHFFFAOYSA- | AKOS004904683 | Anthracene, 2-amino | .beta.-Aminoanthracene | BRN 2209414 | InChI=1/C14H11N/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,15H2 | NCGC00091622-03 | Q268411

Spezifikationen & Reinheit

≥96%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥96%

Namen und Kennungen

Pubchem Sid

488181487

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181487

Kanonisches Lächeln

C1=CC=C2C=C3C=C(C=CC3=CC2=C1)N

IUPAC Name

anthracen-2-amine

InChIKey

YCSBALJAGZKWFF-UHFFFAOYSA-N

INCHI

1S/C14H11N/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,15H2

Isomere SMILES

C1=CC=C2C=C3C=C(C=CC3=CC2=C1)N

WGK Deutschland

3

RTECS

CA9275000

Molekulargewicht

193.25

Reaxy-Rn

2209414

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2209414&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Anthracenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenes
• Alternative Parents: Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthracene - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
• External Descriptors: anthracenamine

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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in alcohol, insoluble in water, slightly soluble in ether
• Empfindlichkeit: light & air sensitive
• Schmelzpunkt (°C): 238-241°C
• Molekulargewicht: 193.240 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 193.089 Da
• Monoisotopic Mass: 193.089 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 225.000
• 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