CID 53433453

Base Information

• Chemical Name: CID 53433453
• CAS No.: 108372-23-2
• Molecular Formula: C₈H₁₈N₄O
• Molecular Weight: 186.257
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID00700634
• Mol file: 108372-23-2.mol

Synonyms:DTXSID00700634

Chemical Property of CID 53433453

Chemical Property:

• Refractive Index: 1.576
• PSA: 62.59000
• LogP: -0.05360
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 186.14806121
• Heavy Atom Count: 13
• Complexity: 175

Purity/Quality:

97% ^*data from raw suppliers

(1Z)-N''-Hydroxy-3-(4-methyl-1-piperazinyl)propanimidamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)CCC(=NO)N

Technology Process of CID 53433453

There total 2 articles about CID 53433453 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:

3-(4-methylpiperazin-1-yl)propanenitrile (4491-92-3) → 3-<4-Methyl-piperazinyl-(1)>-propionsaeureamid-oxim (108372-23-2)

Guidance literature:

With hydrogenchloride; hydroxylamine; sodium ethanolate;

DOI:10.1021/ja01547a076

Reference yield:

1-methyl-piperazine (109-01-3) → 3-<4-Methyl-piperazinyl-(1)>-propionsaeureamid-oxim (108372-23-2)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene

2: ethanolic sodium ethylate; NH₂OH+HCl

With hydrogenchloride; hydroxylamine; sodium ethanolate; benzene;

DOI:10.1021/ja01547a076

upstream raw materials:

3-(4-methylpiperazin-1-yl)propanenitrile

1-methyl-piperazine