3-Aminopentanenitrile

Base Information

• Chemical Name: 3-Aminopentanenitrile
• CAS No.: 75405-06-0
• Molecular Formula: C5H10N2
• Molecular Weight: 98.1478
• European Community (EC) Number: 616-219-5
• UNII: 240Y1KRT4D
• DSSTox Substance ID: DTXSID7043904
• Nikkaji Number: J1.537.334B
• Wikidata: Q27253794
• Mol file: 75405-06-0.mol

Synonyms:3-aminopentanenitrile;3-Amino-pentanenitrile;75405-06-0;Pentanenitrile, 3-amino-;3-Aminopenanenitrile;UNII-240Y1KRT4D;240Y1KRT4D;DTXSID7043904;(RS)-3-AMINOPENTANE NITRILE;3-AMINOPENTANENITRILE, (RS)-;AKOS009387248;SB44664;3-AMINOPENTANENITRILE, (+/-)-;LS-101733;CS-0253543;FT-0773840;FT-0774170;EN300-64682;Q27253794

Chemical Property of 3-Aminopentanenitrile

Chemical Property:

• Vapor Pressure: 0.288mmHg at 25°C
• Refractive Index: 1.44
• Boiling Point: 202.7 °C at 760 mmHg
• Flash Point: 76.4 °C
• PSA: 49.81000
• Density: 0.904 g/cm³
• LogP: 1.33768
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 98.084398327
• Heavy Atom Count: 7
• Complexity: 79.3

Purity/Quality:

99% ^*data from raw suppliers

3-Amino-pentanenitrile ＞95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC#N)N

Technology Process of 3-Aminopentanenitrile

There total 2 articles about 3-Aminopentanenitrile 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: 90.0%

cis-2-pentenenitrile (25899-50-7) → 3-aminopentanenitrile (75405-06-0)

Guidance literature:

With ammonia; In water; at 90 - 110 ℃; for 4 - 10h; under 3863.02 - 6862.56 Torr; Product distribution / selectivity;

Reference yield: 77.0%

(R)-3-aminopentanenitrile (400090-60-0) → 3-aminopentanenitrile (75405-06-0)

Guidance literature:

With ammonia; In water; at 130 ℃; for 6h;

Reference yield: 74.0%

3-aminopentanenitrile (75405-06-0) + rac-tartaric acid dibenzoate (2743-38-6,17026-42-5,22333-70-6,100632-52-8,111955-48-7) → R-aminopentanenitrile dibenzoyl-L-tartaric acid salt + S-aminopentanenitrile dibenzoyl-L-tartaric acid salt

Guidance literature:

3-aminopentanenitrile; With 2,2,2-trifluoroethylbutyrate; Pseudomonas stutzeri Lipase TL; In tert-butyl methyl ether; at 45 ℃; for 8h;

rac-tartaric acid dibenzoate; In water; ethyl acetate;

upstream raw materials:

(R)-3-aminopentanenitrile

cis-2-pentenenitrile

Downstream raw materials:

(R)-3-aminopentanenitrile

(S)-3-aminopentanitrile

Refernces

• 1、 -. "PROCESS OF MAKING 3-AMINOPENTANENITRILE". Page/Page column 5. . Retrieved 2008/06/13.