CID 9570542

Base Information

• Chemical Name: CID 9570542
• CAS No.: 35089-70-4
• Molecular Formula: C₇H₁₅N₅O₃
• Molecular Weight: 217.228
• Hs Code.: 2925290090
• European Community (EC) Number: 654-804-7
• Mol file: 35089-70-4.mol

Synonyms:35089-70-4

Chemical Property of CID 9570542

Chemical Property:

• Vapor Pressure: 0.00012mmHg at 25°C
• Boiling Point: 335.4°Cat760mmHg
• PKA: 2.78±0.50(Predicted)
• Flash Point: 156.6°C
• PSA: 114.37000
• Density: 1.32g/cm³
• LogP: 2.28000
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 217.11748936
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCN(C(=N[N+](=O)[O-])N)N=O
• Isomeric SMILES: CCCCCCN(/C(=N/[N+](=O)[O-])/N)N=O

Technology Process of CID 9570542

There total 2 articles about CID 9570542 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:

hexan-1-amine (111-26-2) → 1-(n-Hexyl)-3-nitro-1-nitrosoguanidin (35089-70-4)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂O

2: aq. NaNO₂, HNO₃

With nitric acid; sodium nitrite; In water;

DOI:10.1248/cpb.19.1809

Reference yield:

1-(n-Hexyl)-3-nitroguanidin (35089-71-5) → 1-(n-Hexyl)-3-nitro-1-nitrosoguanidin (35089-70-4)

Guidance literature:

With nitric acid; sodium nitrite;

DOI:10.1248/cpb.19.1809

upstream raw materials:

1-(n-Hexyl)-3-nitroguanidin

hexan-1-amine