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

CAS: 17075-03-5 Cat. No.: A151445 Formule: C₁₆H₁₁N Poids moléculaire: 217.27 Beilstein Registry Number: 12(4)3465 Numéro CE: 677-123-7

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

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

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

528760270

Sourires canoniques

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

Isomères SMILES

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

RTECS

UR2277000

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive；Air sensitive
• Poids moléculaire: 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