N-Propyl-N-nitrosourea

Base Information

• Chemical Name: N-Propyl-N-nitrosourea
• CAS No.: 816-57-9
• Molecular Formula: C4H9 N3 O2
• Molecular Weight: 131.134
• NSC Number: 46792
• UNII: 240IS3J248
• DSSTox Substance ID: DTXSID0021204
• Nikkaji Number: J3.332D
• Wikidata: Q81983741
• Mol file: 816-57-9.mol

Synonyms:1-propyl-1-nitrosourea;N-nitroso-N-propylurea;N-propyl-N-nitrosourea;propylnitrosourea

Chemical Property of N-Propyl-N-nitrosourea

Chemical Property:

• Vapor Pressure: 0.327mmHg at 25°C
• Refractive Index: 1.5700 (estimate)
• Boiling Point: 200.3°C at 760 mmHg
• Flash Point: 74.9°C
• PSA: 75.76000
• Density: 1.27g/cm³
• LogP: 1.15880
• Storage Temp.: -20?C Freezer, Under Inert Atmosphere
• Solubility.: DMSO, Methanol
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 131.069476538
• Heavy Atom Count: 9
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

N-Nitroso-N-propylUrea,Contains40%Water,~2%AceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN(C(=O)N)N=O

Technology Process of N-Propyl-N-nitrosourea

There total 3 articles about N-Propyl-N-nitrosourea 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:

n-propylurea (627-06-5) → N-propyl-N-nitrosourea (816-57-9)

Guidance literature:

With sodium perchlorate; sodium nitrite; at 9.9 - 29.9 ℃; Rate constant; Mechanism; Thermodynamic data; ΔH(excit.), -ΔS(excit.); various acids as catalysts (AcOH, ClCH2CO2H, Cl2CHCO2H, Cl3CO2H, HClO4); also primary kinetic isotope effect;

DOI:10.1002/(SICI)1097-4601(1996)28:4<307::AID-KIN9>3.0.CO;2-Z

Reference yield:

propylamine (107-10-8,42939-71-9) → N-propyl-N-nitrosourea (816-57-9)

Guidance literature:

DOI:10.1002/hlca.19690520823

Reference yield:

→ N-propyl-N-nitrosourea (816-57-9)

Guidance literature:

DOI:10.1016/0032-3950(69)90314-1

upstream raw materials:

propylamine

n-propylurea

Downstream raw materials:

propan-1-ol

NBP-Pr

1,1-diiodopropane

Refernces

• 1、 Alatorre,Zapiain,Quintana,Martinez. "Kinetic study of the nitrosation of N-alkylureas in dioxane-acetic acid mixtures". . p. 145 - 150. Retrieved 2007/10/03.