6-N-HYDROXYLAMINOPURINE

Base Information

• Chemical Name: 6-N-HYDROXYLAMINOPURINE
• CAS No.: 5667-20-9
• Molecular Formula: C5H5 N5 O
• Molecular Weight: 151.128
• Hs Code.: 2928009090
• European Community (EC) Number: 227-125-5
• NSC Number: 516286
• DSSTox Substance ID: DTXSID4044959
• Nikkaji Number: J86.651B
• Wikidata: Q27147693
• ChEMBL ID: CHEMBL393474
• Mol file: 5667-20-9.mol

Synonyms:6H-Purin-6-one,1,7-dihydro-, oxime (9CI); Adenine, N-hydroxy- (7CI,8CI); Adenine, N6-hydroxy-(6CI); 6-Hydroxyaminopurine; HAP; N6-Hydroxyadenine; NSC 516286

Chemical Property of 6-N-HYDROXYLAMINOPURINE

Chemical Property:

• Vapor Pressure: 9.79E-06mmHg at 25°C
• Melting Point: 260 °C (decomp)
• Refractive Index: 1.9000 (estimate)
• Boiling Point: 333.3°C at 760 mmHg
• PKA: 12.20±0.20(Predicted)
• Flash Point: 155.4°C
• PSA: 86.72000
• Density: 1.96g/cm³
• LogP: 0.22700
• Storage Temp.: Store at -20
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 151.04940980
• Heavy Atom Count: 11
• Complexity: 143

Purity/Quality:

99%, ^*data from raw suppliers

N-(7H-Purin-6-yl)hydroxylamine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC2=C(N1)C(=NC=N2)NO
• Uses: 6-Hydroxyaminopurine, a metabolite of Adenine is reported to be capable of inducing reversions in wild type, as well as in pso and rad6-1 mutant strains, indicating that this drug may act as a direct mutagen in yeast.

Technology Process of 6-N-HYDROXYLAMINOPURINE

There total 3 articles about 6-N-HYDROXYLAMINOPURINE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 87.0%

6-chloro-7H-purine (87-42-3,111055-92-6) → N6-hydroxyadenine (5667-20-9)

Guidance literature:

With hydroxylamine; In water; at 60 ℃; for 0.5h;

Reference yield:

6-chloro-7H-purine (87-42-3,111055-92-6) → N-(7(9)H-purin-6-yl)-hydroxylamine (5667-20-9)

Guidance literature:

With hydroxylamine;

DOI:10.1021/ja01548a033

Reference yield:

→ N6-hydroxyadenine (5667-20-9)

Guidance literature:

6-Chlor-purin-3-oxid, Hydroxylamin;

DOI:10.1021/jo01259a028

upstream raw materials:

6-chloro-7H-purine

Downstream raw materials:

7H-purin-6-ylamine

Refernces

• 1、 -. "ANTIPARASITIC COMPOUNDS AND COMPOSITIONS". Page/Page column 32. . Retrieved 2010/11/29.