N-Nitrosoheptamethyleneimine

Base Information

• Chemical Name: N-Nitrosoheptamethyleneimine
• CAS No.: 20917-49-1
• Molecular Formula: C7H14 N2 O
• Molecular Weight: 142.201
• European Community (EC) Number: 678-278-3
• UNII: 0VCF90A5FP
• DSSTox Substance ID: DTXSID1021039
• Nikkaji Number: J2.758H
• Wikidata: Q27231152
• ChEMBL ID: CHEMBL165634
• Mol file: 20917-49-1.mol

Synonyms:N-nitrosoheptamethyleneimine

Chemical Property of N-Nitrosoheptamethyleneimine

Chemical Property:

• Melting Point: 28 °C
• Refractive Index: 1.4880 (estimate)
• Boiling Point: 264.6°Cat760mmHg
• Flash Point: 113.8°C
• Density: 1.09g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 142.110613074
• Heavy Atom Count: 10
• Complexity: 97.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-Nitrosoheptamethyleneimine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrosamines
• Canonical SMILES: C1CCCN(CCC1)N=O

Technology Process of N-Nitrosoheptamethyleneimine

There total 2 articles about N-Nitrosoheptamethyleneimine 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:

heptamethyleneimine (1121-92-2) + n-propyl nitrite (543-67-9) → propan-1-ol (71-23-8) + N-nitrosoheptamethyleneimine (20917-49-1)

Guidance literature:

With sodium hydroxide; In water; at 25 ℃; Rate constant; Thermodynamic data; ΔH(excit.) and ΔS(excit.); var. solvent system and temp.;

Reference yield:

heptamethyleneimine (1121-92-2) + n-Butyl nitrite (544-16-1) → N-nitrosoheptamethyleneimine (20917-49-1) + butan-1-ol (71-36-3)

Guidance literature:

With sodium hydroxide; In water; at 25 ℃; Rate constant;

upstream raw materials:

heptamethyleneimine

n-propyl nitrite

n-Butyl nitrite

Refernces