(S)-3-Aminopentanenitrile

Base Information

• Chemical Name: (S)-3-Aminopentanenitrile
• CAS No.: 639804-64-1
• Molecular Formula: C5H10 N2
• Molecular Weight: 98.1478
• Hs Code.: 2926909090
• UNII: 8764I890I6
• Wikidata: Q27269798
• Mol file: 639804-64-1.mol

Synonyms:(S)-3-Aminopentanenitrile;639804-64-1;(3S)-3-aminopentanenitrile;3-Aminopentanenitrile, (3S)-;Pentanenitrile, 3-amino-, (3S)-;8764I890I6;FVPPLRDSFQDFLX-YFKPBYRVSA-N;UNII-8764I890I6;AKOS025295581;A834597;Q27269798

Chemical Property of (S)-3-Aminopentanenitrile

Chemical Property:

• Vapor Pressure: 0.288mmHg at 25°C
• Refractive Index: 1.44
• Boiling Point: 201°C
• Flash Point: 76.415°C
• PSA: 49.81000
• Density: 0.905g/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:

97% ^*data from raw suppliers

(S)-3-Aminopentanenitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC#N)N
• Isomeric SMILES: CC[C@@H](CC#N)N

Technology Process of (S)-3-Aminopentanenitrile

There total 4 articles about (S)-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: 69.3%

3-aminopentanenitrile (75405-06-0) → (S)-3-aminopentanitrile (639804-64-1) + (R)-3-aminopentanenitrile (400090-60-0)

Guidance literature:

3-aminopentanenitrile; With Di-p-toluoyl-L-tartaric acid; In ethanol; for 0.0833333h; Heating / reflux; Resolution of racemate;

With sodium hydroxide; In water;

Reference yield: 15.0%

3-aminopentanenitrile (75405-06-0) → (S)-3-aminopentanitrile (639804-64-1)

Guidance literature:

3-aminopentanenitrile; With (S)-2-methoxy-2-phenylacetic acid; In methanol; for 0.0833333h; Heating / reflux; Resolution of racemate;

With sodium hydroxide; In water;

Reference yield:

3-aminopentanenitril-phenylacetamide (1247634-64-5) → phenylacetic acid (103-82-2) + (S)-3-aminopentanitrile (639804-64-1)

Guidance literature:

With water; penicillin acylase PGA-450; for 18h; pH=6.0 - 9.0; Reactivity; Aqueous phosphate buffer; Aqueous bicarbonate buffer;

upstream raw materials:

(S)-2-(N-t-butoxycarbonylamino)-butyl cyanide

3-aminopentanenitrile

3-aminopentanenitril-phenylacetamide