1-Pyrenecarboxaldehyde - ≥99% , CAS No.3029-19-4

CAS: 3029-19-4 Cat. No.: P131479 Fórmula: C₁₇H₁₀O Peso molecular: 230.26 Beilstein Registry Number: 1874889 Número CE: 221-196-6

GRADE & PURITY ≥99%

Synonyms

I9H95PVI1P | SCHEMBL52121 | 4-CARBOXALDEHYDE-N-ISOPROPYLBENZAMIDE; n-isopropyl-4-formylbenzamide; 4-formyl-N-isopropylbenzamide | 3-Pyrenylaldehyde | BBL027449 | 3-Formylpyrene | AS-48903 | SY049928 | UNII-I9H95PVI1P | AKOS015840462 | EINECS 221-196-6 | P

Storage

Room temperature

Shipped In

Normal

Visão geral

1-Pyrenecarboxaldehyde is a novel base-discriminating fluorescent (BDF) compound and a highly polarity-sensitive fluorophore for SNP typing.
A novel base-discriminating fluorescent (BDF) compound

Specifications

Sinónimos

I9H95PVI1P | SCHEMBL52121 | 4-CARBOXALDEHYDE-N-ISOPROPYLBENZAMIDE; n-isopropyl-4-formylbenzamide; 4-formyl-N-isopropylbenzamide | 3-Pyrenylaldehyde | BBL027449 | 3-Formylpyrene | AS-48903 | SY049928 | UNII-I9H95PVI1P | AKOS015840462 | EINECS 221-196-6 | P

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

488188837

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188837

Sorrisos canónicos

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C=O

IUPAC Name

pyrene-1-carbaldehyde

InChIKey

RCYFOPUXRMOLQM-UHFFFAOYSA-N

INCHI

1S/C17H10O/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-10H

SMILES isoméricas

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C=O

WGK Alemanha

3

RTECS

UR2450200

Peso molecular

230.26

Beilstein

1874889

Reaxy-Rn

1874889

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1874889&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 Aryl-aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Pyrene - Phenanthrene - Naphthalene - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - 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
• Ponto de fusão (°C): 128 °C
• Peso molecular: 230.260 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 230.073 Da
• Monoisotopic Mass: 230.073 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 337.000
• 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