N-Propyl-N'-nitro-N-nitrosoguanidine

Base Information

• Chemical Name: N-Propyl-N'-nitro-N-nitrosoguanidine
• CAS No.: 13010-07-6
• Molecular Formula: C4H9 N5 O3
• Molecular Weight: 175.147
• Hs Code.: 2925290090
• NSC Number: 33674
• Mol file: 13010-07-6.mol

Synonyms:2-nitro-1-nitroso-1-propylguanidine;N-Propyl-N'-nitro-N-nitrosoguanidine;C4H9N5O3;SCHEMBL11478654;NSC33674;N-Nitroso-N/'-nitro-N-propylguanidine

Chemical Property of N-Propyl-N'-nitro-N-nitrosoguanidine

Chemical Property:

• Vapor Pressure: 0.00149mmHg at 25°C
• Melting Point: 108-110 °C (dec.)(lit.)
• Refractive Index: 1.8000 (estimate)
• Boiling Point: 295.8°Cat760mmHg
• Flash Point: 132.7°C
• PSA: 114.37000
• Density: 1.51g/cm³
• LogP: 1.10970
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 175.07053917
• Heavy Atom Count: 12
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

N’-Nitro-N-nitroso-N-propylguanidine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,T
• Statements: 45-46-11-23/24/25-36/37/38
• Safety Statements: 53-16-22-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN(C(=N[N+](=O)[O-])N)N=O
• Isomeric SMILES: CCCN(/C(=N/[N+](=O)[O-])/N)N=O
• Uses: A N-nitroso compound A N-nitroso compound with mutagenicity effects.

Technology Process of N-Propyl-N'-nitro-N-nitrosoguanidine

There total 3 articles about N-Propyl-N'-nitro-N-nitrosoguanidine 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:

propylnitroguanidine (35091-64-6) → N-Propyl-N'-nitro-N-nitrosoguanidine (13010-07-6)

Guidance literature:

With nitric acid; sodium nitrite;

DOI:10.1248/cpb.19.1809

Reference yield:

→ N-Propyl-N'-nitro-N-nitrosoguanidine (13010-07-6)

Guidance literature:

With nitric acid; sodium nitrite;

Reference yield:

N-propyl-N''-nitroguanidine (35091-64-6) → N-Nitroso-N'-nitro-N-propyl-guanidin (13010-07-6)

Guidance literature:

With sodium nitrite;

upstream raw materials:

propylnitroguanidine

N-propyl-N''-nitroguanidine

Refernces

• 1、 SKINNER,GRAM,GREENE,GREENBERG,BAKER. "Potential anticancer agents. XXXI. The relationship of chemical structure to antileukaemic activity with analogues of 1-methyl-3-nitro-1-nitrosoguanidine (NSC-9369).". . p. 299 - 333. Retrieved 2007/10/04.