1-Aminoanthracene - ≥98% , CAS No.610-49-1

CAS: 610-49-1 Cat. No.: A121482 Molecular Weight: 193.24 Beilstein Registry Number: 2209406 EC Number: 210-225-8

GRADE & PURITY ≥98%

Synonyms

1-Aminoanthracene, technical, >=90% (GC/NT) | FT-0632544 | AKOS004114680 | CHEBI:40678 | DTXSID00209859 | ANTHRACEN-1-YLAMINE | 1-ANTHRACENYLAMINE | A833023 | .alpha.-Aminoanthracene | InChI=1/C14H11N/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H,15

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1-Aminoanthracene, technical, >=90% (GC/NT) | FT-0632544 | AKOS004114680 | CHEBI:40678 | DTXSID00209859 | ANTHRACEN-1-YLAMINE | 1-ANTHRACENYLAMINE | A833023 | .alpha.-Aminoanthracene | InChI=1/C14H11N/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H, 15

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488181463
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181463
• Canonical Smiles: C1=CC=C2C=C3C(=CC2=C1)C=CC=C3N
• IUPAC Name: anthracen-1-amine
• InChIKey: YUENFNPLGJCNRB-UHFFFAOYSA-N
• INCHI: 1S/C14H11N/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H,15H2
• Isomeric SMILES: C1=CC=C2C=C3C(=CC2=C1)C=CC=C3N
• WGK Germany: 3
• RTECS: CA9100000
• Molecular Weight: 193.24
• Beilstein: 2209406
• Reaxy-Rn: 2209406
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2209406&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: light sensitive
• Melt Point(°C): 119.0 - 123.0 °C
• Molecular Weight: 193.240 g/mol
• XLogP3: 3.700
• 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

References

1. Yinhui Yi, Odoom Jibrael Kingsford, Mwenze Nkulu Fiston, Junjuan Qian, Zhenjiang Liu, Lirong Liu, Gangbing Zhu.  (2017)  Perylenetetracarboxylic acid noncovalently functionalizes carbon nanohorn nanohybrids for electrochemical sensing of 4,4′-diaminobiphenyl.  JOURNAL OF ELECTROANALYTICAL CHEMISTRY,      [PMID:] [10.1016/j.jelechem.2017.07.025]