4-(Aminomethyl)benzamide

Base Information

• Chemical Name: 4-(Aminomethyl)benzamide
• CAS No.: 369-53-9
• Molecular Formula: C8H10N2O
• Molecular Weight: 150.18
• Hs Code.: 2924299090
• European Community (EC) Number: 806-138-5
• DSSTox Substance ID: DTXSID80368857
• Nikkaji Number: J1.748.489C
• Wikidata: Q82155715
• ChEMBL ID: CHEMBL149440
• Mol file: 369-53-9.mol

Synonyms:4-(aminomethyl)benzamide;369-53-9;4-Aminomethyl-benzamide;4-Aminomethylbenzamide;Benzamide, 4-(aminomethyl)-;CHEMBL149440;MFCD06357911;p-aminomethylbenzamide;4-(Aminomethyl)-benzamide;SCHEMBL509167;DTXSID80368857;JKIHDSIADUBKPU-UHFFFAOYSA-N;4-aminomethyl-benzamide, AldrichCPR;BDBM50408787;STK503596;AKOS000264280;SB75851;AS-59200;BB 0240934;CS-0047067;FT-0601932;EN300-17770;W15424

Chemical Property of 4-(Aminomethyl)benzamide

Chemical Property:

• Vapor Pressure: 0.000143mmHg at 25°C
• Refractive Index: 1.596
• Boiling Point: 332.7 °C at 760 mmHg
• PKA: 16.14±0.50(Predicted)
• Flash Point: 155 °C
• PSA: 69.11000
• Density: 1.172 g/cm³
• LogP: 1.64480
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.079312947
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

97% ^*data from raw suppliers

4-(Aminomethyl)benzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CN)C(=O)N
• Uses: 4-(Aminomethyl)benzamide is a trypsin inhibitor, and performs an antitrypsin activity.

Technology Process of 4-(Aminomethyl)benzamide

There total 3 articles about 4-(Aminomethyl)benzamide 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: 91.0%

4-cyanobenzamide (3034-34-2) → 4-(aminomethyl)benzamide (369-53-9)

Guidance literature:

With ammonia; hydrogen; In toluene; at 120 ℃; for 16h; under 22502.3 Torr; Autoclave;

DOI:10.1039/c8sc02807a

Reference yield: 84.0%

4-aminobenzyl cyanide (10406-25-4) → 4-(aminomethyl)benzamide (369-53-9)

Guidance literature:

4-aminobenzyl cyanide; With sulfuric acid; water; at 40 - 50 ℃; for 3h;

With water; at 20 - 40 ℃; for 1h; Product distribution / selectivity;

Reference yield:

→ 4-(aminomethyl)benzamide (369-53-9)

Guidance literature:

upstream raw materials:

4-aminobenzyl cyanide

4-cyanobenzamide

Downstream raw materials:

4-(4-carbamoyl-benzylcarbamoyl)-5,5-dimethyl-thiazolidine-3-carboxylic acid tert-butyl ester

{(1S,2S)-1-Benzyl-3-[(R)-4-(4-carbamoyl-benzylcarbamoyl)-5,5-dimethyl-thiazolidin-3-yl]-2-hydroxy-3-oxo-propyl}-carbamic acid tert-butyl ester

4-[[6-(Dipropylamino)-3,5,6,7-tetrahydro-1,3-dioxocyclopent[f]isoindol-2(1H)-yl]methyl]benzamide

4-({[({[4-(3,4-Dichlorobenzyl)-1,4-oxazepan-2-yl]Methyl}Amino)Carbonyl]Amino}Methyl)Benzamide