Purine - ≥98% , CAS No.120-73-0

CAS: 120-73-0 Cat. No.: P166509 Fórmula: C₅H₄N₄ Peso molecular: 120.11 Beilstein Registry Number: 3200 Número CE: 204-421-2 PubChem CID: 1044

GRADE & PURITY ≥98%

Synonyms

EINECS 204-421-2 | Imidazo(4,5-d)pyrimidine | s6359 | {6H-Imidazo[4,5-d]pyrimidine} | 3H-purine | AKOS015913555 | CHEBI:17258 | Imidazo[4,5-d]pyrimidine | Purine | CHEBI:35586 | UNII-W60KTZ3IZY | 9H-Purine | NSC 753 | AM20080144 | SY064527 | Purine, 98% |

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

Purine is a heterocyclic organic compound constituting a pyrimidine ring fused to an imidazole ring.

Purine can undergo direct C-H functionalization in the presence of palladium catalyst to form various biologically important products.

Specifications

Sinónimos

EINECS 204-421-2 | Imidazo(4,5-d)pyrimidine | s6359 | {6H-Imidazo[4,5-d]pyrimidine} | 3H-purine | AKOS015913555 | CHEBI:17258 | Imidazo[4,5-d]pyrimidine | Purine | CHEBI:35586 | UNII-W60KTZ3IZY | 9H-Purine | NSC 753 | AM20080144 | SY064527 | Purine, 98% |

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

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

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488179592

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179592

Sorrisos canónicos

C1=C2C(=NC=N1)N=CN2

IUPAC Name

7H-purine

InChIKey

KDCGOANMDULRCW-UHFFFAOYSA-N

INCHI

1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)

SMILES isoméricas

C1=C2C(=NC=N1)N=CN2

WGK Alemanha

3

RTECS

UO7450000

PubChem CID

1044

Peso molecular

120.11

Beilstein

3200

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Purines and purine derivatives
• Alternative Parents: Pyrimidines and pyrimidine derivatives Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine - Pyrimidine - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.
• External Descriptors: a ring

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water.
• Ponto de fusão (°C): 214-217 °C
• Peso molecular: 120.110 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 120.044 Da
• Monoisotopic Mass: 120.044 Da
• Topological Polar Surface Area: 54.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 105.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 120-73-0, the molecular formula is C5H4N4, and the molecular weight is 120.11 g/mol. InChIKey KDCGOANMDULRCW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.