N-Nitrosodiisopropylamine

Base Information

• Chemical Name: N-Nitrosodiisopropylamine
• CAS No.: 601-77-4
• Molecular Formula: C6H14 N2 O
• Molecular Weight: 130.19
• Hs Code.: 29211990
• European Community (EC) Number: 690-128-9
• NSC Number: 336
• UNII: AFI1E104OF
• DSSTox Substance ID: DTXSID20208844
• Nikkaji Number: J14.712E
• Wikidata: Q26840769
• ChEMBL ID: CHEMBL115700
• Mol file: 601-77-4.mol

Synonyms:diisopropylnitrosamine

Chemical Property of N-Nitrosodiisopropylamine

Chemical Property:

• Vapor Pressure: 0.616mmHg at 25°C
• Melting Point: >300°C
• Refractive Index: 1.4431 (estimate)
• Boiling Point: 194.5℃
• PKA: -2.65±0.70(Predicted)
• Flash Point: 73.6°C
• PSA: 32.67000
• Density: 0.94g/cm³
• LogP: 1.78660
• Storage Temp.: Refrigerator, Under Inert Atmosphere
• Water Solubility.: 13.02g/L(24 oC)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 130.110613074
• Heavy Atom Count: 9
• Complexity: 83.1

Purity/Quality:

97% ^*data from raw suppliers

N-Nitrosodiisopropylamine ^*data from reagent suppliers

Safty Information:

• Statements: 22-45
• Safety Statements: 53

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrosamines
• Canonical SMILES: CC(C)N(C(C)C)N=O
• Uses: A nitroso compound that shows carcinogenic effect N-Nitrosodiisopropylamine ia a nitrosoamine compound that shows carcinogenic effect.

Technology Process of N-Nitrosodiisopropylamine

There total 5 articles about N-Nitrosodiisopropylamine 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-methyl-N-nitrosotoluene-p-sulfonamide (80-11-5) + diisopropylamine (108-18-9) → N-nitrosodiisopropylamine (601-77-4) + N-methyl-p-toluenesulfonylamide (640-61-9)

Guidance literature:

In 1,4-dioxane; water; at 25 ℃; Rate constant; solvent isotope effect (k_H/k_D);

Reference yield:

n-propyl nitrite (543-67-9) + diisopropylamine (108-18-9) → propan-1-ol (71-23-8) + N-nitrosodiisopropylamine (601-77-4)

Guidance literature:

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

Reference yield:

cis-nitrous acid (7782-77-6) + isopropylamine (75-31-0) → propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + isopropyl alcohol (67-63-0,8013-70-5) + N-nitrosodiisopropylamine (601-77-4)

Guidance literature:

upstream raw materials:

n-propyl nitrite

diisopropylamine

N-methyl-N-nitrosotoluene-p-sulfonamide

N,N-diisopropylcarbamoyl chloride

Downstream raw materials:

N,N-diisopropylhydrazine

diisopropylnitramine

N,N-Diisopropyl-N'-formyl-hydrazin

diisopropylamine