({4-[Azaniumyl(imino)methyl]phenyl}methyl)ammonium

Base Information

• Chemical Name: ({4-[Azaniumyl(imino)methyl]phenyl}methyl)ammonium
• CAS No.: 217313-79-6
• Molecular Formula: C8H13N3+2
• Molecular Weight: 222.1149
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID90944343
• Wikidata: Q82921553
• Mol file: 217313-79-6.mol

Synonyms:DTXSID90944343;({4-[Azaniumyl(imino)methyl]phenyl}methyl)ammonium

Chemical Property of ({4-[Azaniumyl(imino)methyl]phenyl}methyl)ammonium

Chemical Property:

• Vapor Pressure: 0.00309mmHg at 25°C
• Boiling Point: 283.8°Cat760mmHg
• Flash Point: 125.5°C
• PSA: 75.89000
• Density: g/cm³
• LogP: 3.53370
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 151.110947427
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

97% ^*data from raw suppliers

4-AminomethylBenzamidineDihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C[NH3+])C(=[NH2+])N

Technology Process of ({4-[Azaniumyl(imino)methyl]phenyl}methyl)ammonium

There total 3 articles about ({4-[Azaniumyl(imino)methyl]phenyl}methyl)ammonium 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: 55.0%

→ 4-(aminomethyl)benzene-1-carboximidamide dihydrochloride (217313-79-6)

Guidance literature:

Reference yield:

N-Boc-4-aminomethyl benzamidine (162696-15-3) → 4-(aminomethyl)benzene-1-carboximidamide dihydrochloride (217313-79-6)

Guidance literature:

With hydrogenchloride; water;

DOI:10.1021/jm100183e

Reference yield:

4-(aminomethyl)benzene-1-carboximidamide dihydrochloride (217313-79-6) → 4-amidinobenzylamine dihydrochloride (701270-17-9,217313-79-6)

Guidance literature:

With 1-methyl-pyrrolidin-2-one; N-ethyl-N,N-diisopropylamine; Sonication;

DOI:10.1021/acs.jmedchem.7b01698

upstream raw materials:

N-Boc-4-aminomethyl benzamidine

Downstream raw materials:

C₃₁H₄₆N₁₂O₄

C₂₇H₄₀N₁₀O₄S

4-amidinobenzylamine dihydrochloride

C₂HF₃O₂*C₄₅H₄₇N₇O₆S