[4-(Aminomethyl)phenyl]guanidine

Base Information

• Chemical Name: [4-(Aminomethyl)phenyl]guanidine
• CAS No.: 174959-56-9
• Molecular Formula: C₈H₁₂N₄
• Molecular Weight: 164.21
• DSSTox Substance ID: DTXSID201297656
• Mol file: 174959-56-9.mol

Synonyms:174959-56-9;[4-(Aminomethyl)phenyl]guanidine;2-[4-(aminomethyl)phenyl]guanidine;1-(4-(Aminomethyl)phenyl)guanidine;1-(4-(Aminomethyl)phenyl)guanidine dihydrochloride;4-guanidinobenzylamine;1-[4-(aminomethyl)phenyl]guanidine;N-[4-(AMINOMETHYL)PHENYL]GUANIDINE;N-[4-(AMINOMETHYL)PHENYL]-GUANIDINE;SCHEMBL327252;MOKSHZWZRKXXAO-UHFFFAOYSA-N;DTXSID201297656;CS-0448641

Chemical Property of [4-(Aminomethyl)phenyl]guanidine

Chemical Property:

• Melting Point: 172-176 °C
• Boiling Point: 373.715 °C at 760 mmHg
• Flash Point: 179.817 °C
• PSA: 87.92000
• Density: 1.285 g/cm³
• LogP: 2.02400
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 164.106196400
• Heavy Atom Count: 12
• Complexity: 154

Purity/Quality:

98%min ^*data from raw suppliers

1-(4-(Aminomethyl)phenyl)guanidinedihydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CN)N=C(N)N

Technology Process of [4-(Aminomethyl)phenyl]guanidine

There total 2 articles about [4-(Aminomethyl)phenyl]guanidine 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:

CYANAMID (420-04-2) + (4-aminomethyl)aniline (4403-71-8) → (4-aminomethyl-phenyl)-guanidine (174959-56-9)

Guidance literature:

(4-aminomethyl)aniline; With hydrogenchloride; In water; Heating / reflux;

CYANAMID; In water; Heating / reflux;

With sodium hydroxide; In water; at 0 ℃;

Reference yield:

CYANAMID (420-04-2) → (4-aminomethyl-phenyl)-guanidine (174959-56-9)

Guidance literature:

With water;

DOI:10.1021/jo01164a024

Reference yield:

vancomycin (1404-90-6) + (4-aminomethyl-phenyl)-guanidine (174959-56-9) → C74H85Cl2N13O23

Guidance literature:

With 4-methyl-morpholine; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; In dimethyl sulfoxide; N,N-dimethyl-formamide; at 25 ℃; for 16h;

DOI:10.1021/acsinfecdis.0c00258

upstream raw materials:

CYANAMID

(4-aminomethyl)aniline