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

CAS: 17075-03-5 Cat. No.: A151445 Formula: C₁₆H₁₁N Peso molecolare: 217.27 Beilstein Registry Number: 12(4)3465 Numero EC: 677-123-7

QUALITÀ & PUREZZA ≥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

Conservare a 2-8°C, al riparo dalla luce, con carica di argon

Shipped In

Ghiaccio umido

Specifiche

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C, al riparo dalla luce, con carica di argon

Spedito in

Ghiaccio umido

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

528760270

Sorrisi canonici

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

Isomeri SMILES

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

RTECS

UR2277000

Peso molecolare

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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive；Air sensitive
• Peso molecolare: 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