1,6-Diaminopyrene - ≥98% , CAS No.14923-84-3

CAS: 14923-84-3 Cat. No.: D121489 Fórmula: C₁₆H₁₂N₂ Peso molecular: 232.29 Número CE: 678-133-4

GRAU & PUREZA ≥98%

Synonyms

YSZC2830 | 3,8-Diaminopyren | T70315 | AS-56875 | DTXSID10164203 | 1,6-Pyrenediamine | FT-0606995 | 4-13-00-00479 (Beilstein Handbook Reference) | AKOS015854989 | BRN 2808103 | MFCD00142568 | 1,6-Diaminopyrene | pyrene-1,6-diamine | D2160 | SB77196 | SCHE

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Especificações

Sinónimos

YSZC2830 | 3,8-Diaminopyren | T70315 | AS-56875 | DTXSID10164203 | 1,6-Pyrenediamine | FT-0606995 | 4-13-00-00479 (Beilstein Handbook Reference) | AKOS015854989 | BRN 2808103 | MFCD00142568 | 1,6-Diaminopyrene | pyrene-1,6-diamine | D2160 | SB77196 | SCHE

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

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

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

528753886

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528753886

Sorrisos canónicos

C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3)N)N

IUPAC Name

pyrene-1,6-diamine

InChIKey

OWJJRQSAIMYXQJ-UHFFFAOYSA-N

INCHI

1S/C16H12N2/c17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12/h1-8H,17-18H2

SMILES isoméricas

C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3)N)N

RTECS

UR2451000

Peso molecular

232.29

Reaxy-Rn

2808103

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2808103&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

• Ponto de fusão (°C): 230 °C
• Peso molecular: 232.280 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 232.1 Da
• Monoisotopic Mass: 232.1 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 297.000
• 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