CID 5484428

Base Information

• Chemical Name: CID 5484428
• CAS No.: 40074-04-2
• Molecular Formula: C4H8 N4 O2
• Molecular Weight: 144.133
• Hs Code.: 2926909090
• European Community (EC) Number: 254-782-5
• NSC Number: 520807
• DSSTox Substance ID: DTXSID20960531
• Mol file: 40074-04-2.mol

Synonyms:N-Cyano-N',N''-bis(hydroxymethyl)guanidine;40074-04-2;NSC520807;DTXSID20960531;NSC-520807;N''-Cyano-N,N'-bis(hydroxymethyl)guanidine

Chemical Property of CID 5484428

Chemical Property:

• Boiling Point: 273.6°Cat760mmHg
• Flash Point: 119.3°C
• PSA: 100.67000
• Density: 1.4g/cm³
• LogP: -1.31592
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 144.06472551
• Heavy Atom Count: 10
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(NC(=NCO)NC#N)O
• Isomeric SMILES: C(N/C(=N\CO)/NC#N)O

Technology Process of CID 5484428

There total 2 articles about CID 5484428 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) → N-cyano-N',N''-bis-hydroxymethyl-guanidine (40074-04-2)

Guidance literature:

With water; in Loesung vom pH 7;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + water (7732-18-5) + N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) → N-cyano-N'-hydroxymethyl-guanidine (13101-26-3) + N-cyano-N',N''-bis-hydroxymethyl-guanidine (40074-04-2)

Guidance literature:

at 25 ℃; Rate constant; pH 3 und pH 4;

Reference yield:

N-cyano-N',N''-bis-hydroxymethyl-guanidine (40074-04-2) + water (7732-18-5) → formaldehyd (50-00-0,30525-89-4,61233-19-0)

Guidance literature:

at 20 - 50 ℃; Rate constant; der Zersetzung in Loesung vom pH 7.1;

upstream raw materials:

formaldehyd

N-Cyanoguanidine

water

Downstream raw materials:

N-cyano-N',N''-bis-methoxymethyl-guanidine

formaldehyd