Prop-2-enimidamide

Base Information

• Chemical Name: Prop-2-enimidamide
• CAS No.: 19408-49-2
• Molecular Formula: C3H6N2
• Molecular Weight: 70.09310
• NSC Number: 137783
• DSSTox Substance ID: DTXSID601316525
• Nikkaji Number: J69.136D
• Wikidata: Q77571800
• Metabolomics Workbench ID: 102789
• Mol file: 19408-49-2.mol

Synonyms:acrylamidine;Prop-2-enimidamide;19408-49-2;2-Propenimidamide;DTXSID601316525;NSC137783;AKOS006337954;NSC-137783;D-274-2

Chemical Property of Prop-2-enimidamide

Chemical Property:

• Boiling Point: 86.4±23.0 °C(Predicted)
• PKA: 10.82±0.40(Predicted)
• PSA: 49.87000
• Density: 0.96±0.1 g/cm3(Predicted)
• LogP: 0.90840
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 70.053098200
• Heavy Atom Count: 5
• Complexity: 55.9

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC(=N)N

Technology Process of Prop-2-enimidamide

There total 2 articles about Prop-2-enimidamide 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: 80.0%

acrylonitrile (107-13-1,25014-41-9) → prop-2-enamidine (19408-49-2,121364-00-9)

Guidance literature:

With trimethylaluminum; ammonium chloride; In toluene; at 0 - 80 ℃; for 18h; Inert atmosphere;

DOI:10.1016/j.cell.2018.03.018

Reference yield: 15.0%

3-Hydroxypropionitrile (109-78-4) → prop-2-enamidine (19408-49-2,121364-00-9) + hydroxyethyl amidine (128648-99-7)

Guidance literature:

With amino(methyl)aluminum chloride; In toluene; at 80 ℃;

DOI:10.1016/S0040-4039(00)88891-7

upstream raw materials:

3-Hydroxypropionitrile

acrylonitrile