N-NITROSODI-N-PROPYLAMINE

Base Information

• Chemical Name: N-NITROSODI-N-PROPYLAMINE
• CAS No.: 621-64-7
• Molecular Formula: C6H14 N2 O
• Molecular Weight: 130.19
• Hs Code.: 2928000090
• European Community (EC) Number: 210-698-0
• NSC Number: 133
• UN Number: 3082
• UNII: 2920IH58NC
• DSSTox Substance ID: DTXSID6021032
• Nikkaji Number: J3.005H
• Wikidata: Q22138395
• NCI Thesaurus Code: C44413
• ChEMBL ID: CHEMBL166242
• Mol file: 621-64-7.mol

Synonyms:Dipropylamine,N-nitroso- (6CI,7CI,8CI); Dipropylnitrosamine; N,N-Dipropylnitrosamine;N-Nitroso-N-di-n-propylamine; N-Nitrosodi-n-propylamine;N-Nitrosodipropylamine; NSC 133

Chemical Property of N-NITROSODI-N-PROPYLAMINE

Chemical Property:

• Vapor Pressure: 68.3mmHg at 25°C
• Refractive Index: 1.4468 (589.3 nm 20℃)
• Boiling Point: 113 °C / 40mmHg
• PKA: -3.18±0.70(Predicted)
• Flash Point: 10 °C
• PSA: 32.67000
• Density: 0.92
• LogP: 1.78980
• Storage Temp.: 2-8°C
• Solubility.: Very soluble in ethanol and ether (quoted, Keith and Walters, 1992)
• Water Solubility.: Soluble. 0.9894 g/100 mL
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 130.110613074
• Heavy Atom Count: 9
• Complexity: 69.5
• Transport DOT Label: Class 9

Purity/Quality:

98% ^*data from raw suppliers

N-Nitrosodipropylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N,F
• Hazard Codes: T,N,F
• Statements: 45-22-51/53-39/23/24/25-23/24/25-11
• Safety Statements: 53-45-61-36/37-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrosamines
• Canonical SMILES: CCCN(CCC)N=O
• Uses: N-Nitrosodi-n-propylamine is used in small quantities in laboratory research. It has no known commercial use (IARC 1978, ATSDR 1989, HSDB 2009). Research chemical; impurity in herbicides treflan, isopropalin, and trifluralin; contaminant in wastewater from chemical factories and production of cheese and brandy and other liquors. N-nitrosamines are frequently produced during rubber processing and may be airborne in the workplace.

Technology Process of N-NITROSODI-N-PROPYLAMINE

There total 16 articles about N-NITROSODI-N-PROPYLAMINE 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: 100.0%

di-n-propylamine (142-84-7) → N-nitroso-N,N-dipropylamine (621-64-7)

Guidance literature:

With toluene-4-sulfonic acid; sodium nitrite; In dichloromethane; at 20 ℃;

DOI:10.1002/asia.201403182

Reference yield: 40.0%

di-n-propylamine (142-84-7) → N-nitroso-N,N-dipropylamine (621-64-7) + C6H14FN (125227-80-7)

Guidance literature:

With trifluoroamine oxide; at -15 ℃; for 1.5h;

DOI:10.1021/ja00162a045

Reference yield:

dipropylammonium nitrate (67559-82-4) → N-nitroso-N,N-dipropylamine (621-64-7) + N-nitrodipropylamine (4164-29-8)

Guidance literature:

With nitric acid; acetic anhydride; zinc(II) chloride; In carbon dioxide; at 20 ℃; for 24h; under 45004.5 - 60006 Torr; Autoclave;

DOI:10.1007/s11172-009-0282-1

upstream raw materials:

tri-n-propylamine

tetranitromethane

di-n-propylamine

ethanol

Downstream raw materials:

N-nitrodipropylamine

N-propyl-N-(2-oxopropyl)nitrosamine

di-n-propylamine

N,N-dipropylhydrazine

Refernces

• 1、 Sabat, Carles Mir,Delalu, Henri. "Synthesis and characterization of secondary nitrosamines from secondary amines using sodium nitrite and p-toluenesulfonic acid". . p. 674 - 678. Retrieved 2015/07/01.
• 2、 Oxley, J. C.,Kooh, A. B.,Szekeres, R.,Zheng, W.. "Mechanisms of Nitramine Thermolysis". . p. 7004 - 7008. Retrieved 2007/10/02.