2-(Butylnitroamino)ethyl nitrate

Base Information

• Chemical Name: 2-(Butylnitroamino)ethyl nitrate
• CAS No.: 82486-82-6
• Molecular Formula: C6H13N3O5
• Molecular Weight: 207.186
• European Community (EC) Number: 279-976-7
• DSSTox Substance ID: DTXSID20231753
• Wikidata: Q83112682
• Mol file: 82486-82-6.mol

Synonyms:2-(Butylnitroamino)ethyl nitrate;82486-82-6;2-[butyl(nitro)amino]ethyl nitrate;N-Butyl-2-nitratoethylnitramine;CCRIS 6516;N-Butyl-2-nitratoethyl nitramine;2-(Butylnitroamino)ethanol nitrate (ester);EINECS 279-976-7;Ethanol, 2-(butylnitroamino)-, nitrate (ester);BRN 1793241;Ethanol, 2-(butylnitroamino)-, nitrate;N-Butyl-N-(2-hydroxyethyl)nitramine, dinitrate (ester);Bu-NENA;SCHEMBL5590855;DTXSID20231753;C6-H13-N3-O5;LS-66548;nitric acid 2-(butyl-nitro-amino)-ethyl ester;2-(1-Butyl-2-oxido-2-oxohydrazino)ethyl nitrate #

Chemical Property of 2-(Butylnitroamino)ethyl nitrate

Chemical Property:

• Vapor Pressure: 0.00011mmHg at 25°C
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 347.1°C at 760 mmHg
• Flash Point: 163.7°C
• PSA: 104.11000
• Density: 1.242g/cm³
• LogP: 1.53490
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 207.08552052
• Heavy Atom Count: 14
• Complexity: 187

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCN(CCO[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 2-(Butylnitroamino)ethyl nitrate

There total 2 articles about 2-(Butylnitroamino)ethyl nitrate 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: 69.0%

N-butylaziridine (1120-85-0) → n-Butyl<2-(nitrooxy)ethyl>nitramine (82486-82-6)

Guidance literature:

With dinitrogen pentoxide; In chloroform-d1; at 0 ℃; in armoured cupbord;

DOI:10.1016/S0040-4020(01)87980-1

Reference yield:

2-butylamino-ethanol (111-75-1) → n-Butyl<2-(nitrooxy)ethyl>nitramine (82486-82-6)

Guidance literature:

With nitric acid;

upstream raw materials:

2-butylamino-ethanol

N-butylaziridine

Refernces

• 1、 Rowley, J. A.. "Positive Electron Impact and Chemical Ionization Mass Spectra of Some Nitramine Nitrates". . p. 997 - 1000. Retrieved 2007/10/02.