3-Aminopropanenitrile

Base Information

• Chemical Name: 3-Aminopropanenitrile
• CAS No.: 151-18-8
• Deprecated CAS: 60585-38-8
• Molecular Formula: C3H6N2
• Molecular Weight: 70.094
• Hs Code.: 29269090
• European Community (EC) Number: 205-786-0,268-598-8
• NSC Number: 40641
• UNII: 38D5LJ4KH2
• DSSTox Substance ID: DTXSID6048418
• Nikkaji Number: J10.983E
• Wikipedia: Aminopropionitrile
• Wikidata: Q3614347
• NCI Thesaurus Code: C83513
• Pharos Ligand ID: 21WH2UQSDDGU
• Metabolomics Workbench ID: 38468
• ChEMBL ID: CHEMBL1618272
• Mol file: 151-18-8.mol

Synonyms:Aminopropionitrile;BAPN;beta Aminopropionitrile;beta-Aminopropionitrile

Chemical Property of 3-Aminopropanenitrile

Chemical Property:

• Appearance/Colour: clear colourless to yellow liquid
• Vapor Pressure: 0.667mmHg at 25°C
• Melting Point: <25 °C
• Refractive Index: 1.4365-1.4395
• Boiling Point: 186.324 °C at 760 mmHg
• PKA: 7.80(at 20℃)
• Flash Point: 66.486 °C
• PSA: 49.81000
• Density: 0.933 g/cm³
• LogP: 0.55908
• Storage Temp.: Refrigerator
• Sensitive.: Air & Moisture Sensitive
• Solubility.: Chloroform, Methanol
• Water Solubility.: Soluble in water.
• XLogP3: -1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 70.053098200
• Heavy Atom Count: 5
• Complexity: 49.2

Purity/Quality:

99.9% ^*data from raw suppliers

3-Aminopropionitrile (stabilized with K2CO3) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,C
• Statements: 20/21/22-34-22-63
• Safety Statements: 36/37-45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: UVCB,Nitrogen Compounds -> Nitriles
• Canonical SMILES: C(CN)C#N
• Uses: Production of β-alanine and pantothenic acid. 3-Aminopropionitrile is used for organic synthesis and as pharmaceutical intermediates. As an intermediate used in the manufacture of beta-alanine and pantothenic acid.

Technology Process of 3-Aminopropanenitrile

There total 17 articles about 3-Aminopropanenitrile 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: 83.0%

acrylonitrile (107-13-1,25014-41-9) → 2-cyanoethylamine (151-18-8,60585-38-8)

Guidance literature:

With ammonia;

DOI:10.1038/nchem.2202

Reference yield: 65.0%

methanol (67-56-1) + acrylonitrile (107-13-1,25014-41-9) → 2-cyanoethylamine (151-18-8,60585-38-8) + 3-Methoxypropionitrile (110-67-8) + propiononitrile (107-12-0)

Guidance literature:

With ammonia; hydrogen; chromium; cobalt; iron; nickel; at 100 ℃; under 60004.8 Torr;

DOI:10.1002/adsc.200404128

Reference yield: 47.0%

acrylonitrile (107-13-1,25014-41-9) → 2-cyanoethylamine (151-18-8,60585-38-8) + 3,3'-Iminodipropionitrile (111-94-4)

Guidance literature:

With ammonium hydroxide; at 20 ℃; for 0.5h;

DOI:10.1023/B:COHC.0000010646.77507.bb

upstream raw materials:

3-Chloropropionitrile

3,3'-Iminodipropionitrile

acrylonitrile

p-CH₃C₆H₄-O₂SO-CH₂CH₂CN

Downstream raw materials:

3-phthalimidopropionitrile

N,N'-bis-(2-cyano-ethyl)-urea

Trimethylenediamine

3-amino propanoic acid

Refernces

• 1、 Hermosilla, Pablo,López, Pablo,García-Ordunìa, Pilar,Lahoz, Fernando J.,Polo, Víctor,Casado, Miguel A.. "Amido Complexes of Iridium with a PNP Pincer Ligand: Reactivity toward Alkynes and Hydroamination Catalysis". . p. 2618 - 2629. Retrieved 2018/08/21.
• 2、 -. "Method for preparing 3-aminopropionitrile under supercritical condition". Paragraph 0039; 0040; 0044; 0045. . Retrieved 2018/06/15.