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

CAS: 17075-03-5 Cat. No.: A151445 Summenformel: C₁₆H₁₁N Molekulargewicht: 217.27 Beilstein Registry Number: 12(4)3465 EG-Nummer: 677-123-7

QUALITÄT & REINHEIT ≥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

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

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

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

528760270

Kanonisches Lächeln

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

Isomere SMILES

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

RTECS

UR2277000

Molekulargewicht

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
    • Klasse Pyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive；Air sensitive
• Molekulargewicht: 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