N-[3-(aminomethyl)phenyl]-2-methylpropanamide

Base Information

• Chemical Name: N-[3-(aminomethyl)phenyl]-2-methylpropanamide
• CAS No.: 918810-72-7
• Molecular Formula: C11H16N2O
• Molecular Weight: 192.261
• European Community (EC) Number: 809-734-3
• ChEMBL ID: CHEMBL4574333
• DSSTox Substance ID: DTXSID00588252
• Wikidata: Q82480811
• Mol file: 918810-72-7.mol

Synonyms:N-[3-(aminomethyl)phenyl]-2-methylpropanamide;918810-72-7;SCHEMBL4611142;CHEMBL4574333;DTXSID00588252;IUIQBJCTFVOUHC-UHFFFAOYSA-N;AKOS000130490;MCULE-9076821155;N-(3-(Aminomethyl)phenyl)isobutyramide;DB-114992;EN300-29400;N-[3-(aminomethyl)phenyl]-2-methylpropanamide, AldrichCPR

Chemical Property of N-[3-(aminomethyl)phenyl]-2-methylpropanamide

Chemical Property:

• Boiling Point: 381.6±25.0 °C(Predicted)
• PSA: 58.61000
• Density: 1.093±0.06 g/cm3(Predicted)
• LogP: 3.08960
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 192.126263138
• Heavy Atom Count: 14
• Complexity: 192

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)NC1=CC=CC(=C1)CN

Technology Process of N-[3-(aminomethyl)phenyl]-2-methylpropanamide

There total 1 articles about N-[3-(aminomethyl)phenyl]-2-methylpropanamide 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:

3-isobutyrylamino-benzonitrile (900710-59-0) → N-(3-(Aminomethyl)phenyl)isobutyramide (918810-72-7)

Guidance literature:

With hydrogenchloride; hydrogen; palladium 10% on activated carbon; In methanol;

upstream raw materials:

3-isobutyrylamino-benzonitrile