N,N,N',N',N''-Pentamethylguanidine

Base Information

• Chemical Name: N,N,N',N',N''-Pentamethylguanidine
• CAS No.: 13439-84-4
• Molecular Formula: C6H15N3
• Molecular Weight: 129.2034
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID70158683
• Nikkaji Number: J337.323A
• Mol file: 13439-84-4.mol

Synonyms:N,N,N',N',N''-Pentamethylguanidine;Pentamethylguanidine;1,1,2,3,3-pentamethylguanidine;13439-84-4;pentamethyl guanidine;SCHEMBL135887;DTXSID70158683;ISNICOKBNZOJQG-UHFFFAOYSA-N

Chemical Property of N,N,N',N',N''-Pentamethylguanidine

Chemical Property:

• Vapor Pressure: 0.195mmHg at 25°C
• Boiling Point: 210.2°Cat760mmHg
• PKA: 13.78±0.70(Predicted)
• Flash Point: 80.9°C
• PSA: 18.84000
• Density: 0.85g/cm³
• LogP: 0.09540
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 129.126597491
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN=C(N(C)C)N(C)C

Technology Process of N,N,N',N',N''-Pentamethylguanidine

There total 5 articles about N,N,N',N',N''-Pentamethylguanidine 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: 85.0%

N,N,N',N'-tetramethylchlorformamidinium chloride (56043-45-9,13829-06-6) + methylamine (74-89-5) → N,N,N',N',N-pentamethylguanidine (13439-84-4)

Guidance literature:

In acetonitrile; at 20 ℃; Reflux; Inert atmosphere;

DOI:10.1021/ma100260a

Reference yield:

dimethyl amine (124-40-3) → N,N,N',N',N-pentamethylguanidine (13439-84-4)

Guidance literature:

With mercury dichloride; at 100 ℃;

Reference yield:

methylamine (74-89-5) → N,N,N',N',N-pentamethylguanidine (13439-84-4)

Guidance literature:

With ethanol;

DOI:10.1039/jr9510002492

upstream raw materials:

dimethyl amine

tetramethyl-isothiourea

methylamine

N,N,N',N'-tetramethylchlorformamidinium chloride

Downstream raw materials:

C₁₃H₂₂N₃⁽¹⁺⁾*Cl^(1-)

4-allyl-4-benzyl-2-phenyloxazol-5(4H)-one

N-Benzoyl-N',N',N'',N''-tetramethyl-guanidin

2.4-Bis--1.1.2.3.3-pentamethyl-isobiguanid