4-Aminopyrene - ≥97% , CAS No.17075-03-5

CAS: 17075-03-5 Cat. No.: A151445 Fórmula: C₁₆H₁₁N Peso molecular: 217.27 Beilstein Registry Number: 12(4)3465 Número CE: 677-123-7

GRAU & PUREZA ≥97%

Synonyms

pyren-4-amine | SB79471 | 4-Pyrenamine | DTXSID40168936 | AKOS015854635 | AO-801/41077362 | AYBSKADMMKVOIV-UHFFFAOYSA-N | UTE55V8WW6 | CCRIS 7008 | UNII-UTE55V8WW6 | SCHEMBL1899794 | AS-76742 | T70412 | 4-Aminopyrene | BRN 2212364 | pyren-4-ylamine

Storage

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

Shipped In

Wet ice

Especificações

Sinónimos

pyren-4-amine | SB79471 | 4-Pyrenamine | DTXSID40168936 | AKOS015854635 | AO-801/41077362 | AYBSKADMMKVOIV-UHFFFAOYSA-N | UTE55V8WW6 | CCRIS 7008 | UNII-UTE55V8WW6 | SCHEMBL1899794 | AS-76742 | T70412 | 4-Aminopyrene | BRN 2212364 | pyren-4-ylamine

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

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

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

528760270

Sorrisos canónicos

C1=CC2=C3C(=C1)C=C(C4=CC=CC(=C43)C=C2)N

IUPAC Name

pyren-4-amine

InChIKey

AYBSKADMMKVOIV-UHFFFAOYSA-N

INCHI

1S/C16H11N/c17-14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H,17H2

SMILES isoméricas

C1=CC2=C3C(=C1)C=C(C4=CC=CC(=C43)C=C2)N

RTECS

UR2277000

Peso molecular

217.27

Beilstein

12(4)3465

Reaxy-Rn

2212364

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212364&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Pyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Pyrenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrenes
• Alternative Parents: Phenanthrenes and derivatives Naphthalenes Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Pyrene - Phenanthrene - Naphthalene - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
• 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

Propriedades químicas e físicas

• Sensibilidade: Light sensitive；Air sensitive
• Peso molecular: 217.260 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 217.089 Da
• Monoisotopic Mass: 217.089 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 300.000
• 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