Purin - ≥98% , CAS No.120-73-0

CAS: 120-73-0 Cat. No.: P166509 Summenformel: C₅H₄N₄ Molekulargewicht: 120.11 Beilstein Registry Number: 3200 EG-Nummer: 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

Lagerung bei 2-8°C

Shipped In

Nasses Eis

Übersicht

Purin ist eine heterozyklische organische Verbindung, die aus einem Pyrimidinring besteht, der mit einem Imidazolring verschmolzen ist.

Purin kann in Gegenwart eines Palladiumkatalysators direkt C-H-funktionalisiert werden, um verschiedene biologisch wichtige Produkte zu bilden.

Specifications

Synonyme

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% |

Spezifikationen & Reinheit

≥98%

Storage

Lagerung bei 2-8°C

Verschickt in

Nasses Eis

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488179592

Pubchem Sid Url

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

Kanonisches Lächeln

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)

Isomere SMILES

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

WGK Deutschland

3

RTECS

UO7450000

PubChem CID

1044

Molekulargewicht

120.11

Beilstein

3200

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water.
• Schmelzpunkt (°C): 214-217 °C
• Molekulargewicht: 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

Häufig gestellte Fragen

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.