Guanidine, N'-cyano-N,N-dimethyl-

Base Information

• Chemical Name: Guanidine, N'-cyano-N,N-dimethyl-
• CAS No.: 1609-06-9
• Molecular Formula: C4H8 N4
• Molecular Weight: 112.134
• Hs Code.: 2926909090
• NSC Number: 643479
• DSSTox Substance ID: DTXSID8073269
• ChEMBL ID: CHEMBL1984194
• Mol file: 1609-06-9.mol

Synonyms:1609-06-9;Guanidine, N'-cyano-N,N-dimethyl-;2-cyano-1,1-dimethylguanidine;N'-Cyano-N,N-dimethylguanidine;3-cyano-1,1-dimethylguanidine;N-CYANO-N,N-DIMETHYLGUANIDINE;1-CYANO-3,3-DIMETHYLGUANIDINE;N-CYANO-N',N'-DIMETHYLGUANIDINE;1,1-Dimethyl-3-cyanoguanidine;Guanidine, 2-cyano-1,1-dimethyl-;NSC643479;C4H8N4;SCHEMBL1818257;CHEMBL1984194;DTXSID8073269;SCHEMBL13348741;3-cyano-1,1-dimethyl-guanidine;AKOS006242933;NSC-643479;LS-73407;NCI60_014715;FT-0692133;EN300-128632;W-201459;Z56771172

Chemical Property of Guanidine, N'-cyano-N,N-dimethyl-

Chemical Property:

• Melting Point: 176-177℃
• Boiling Point: 182.9°Cat760mmHg
• PKA: 1.50±0.70(Predicted)
• Flash Point: 64.4°C
• PSA: 62.91000
• Density: 1.07g/cm³
• LogP: 0.04408
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 112.074896272
• Heavy Atom Count: 8
• Complexity: 137

Purity/Quality:

98%Min ^*data from raw suppliers

N’-?Cyano-?N,?N-?dimethylguanidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Moderately toxic by ingestion and skin contact. A mild eye irritant.
• Hazard Codes: Moderately toxic by ingestion and skin contact. A mild eye irritant.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=NC#N)N
• Uses: N-?Cyano-?N'',?N''''-?dimethylguanidine (Cimetidine EP Impurity G) is an impurity of Cimetidine (C441650), which acts as a competitive histamine H2-receptor antagonist which inhibits gastric acid secretion and reduces pepsin output (1).

Technology Process of Guanidine, N'-cyano-N,N-dimethyl-

There total 7 articles about Guanidine, N'-cyano-N,N-dimethyl- 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: 24.0%

N,N-dimethylammonium chloride (506-59-2) + sodium dicyanamide (1934-75-4) → 2-cyano-1,1-dimethylguanidine (1609-06-9)

Guidance literature:

In water; butan-1-ol; Reflux;

DOI:10.1021/acs.jmedchem.5b01631

Reference yield: 18.0%

→ N-cyano-N’,N’-dimethylguanidine (1609-06-9)

Guidance literature:

With diethyl ether; In butan-1-ol; Reflux;

Reference yield:

sodium dicyanamide (1934-75-4) + dimethyl amine (124-40-3) → N-cyano-N’,N’-dimethylguanidine (1609-06-9)

Guidance literature:

DOI:10.1055/s-0028-1083603

upstream raw materials:

N,N-dimethylammonium chloride

sodium dicyanamide

N-Cyanoguanidine

dimethyl sulfate

Downstream raw materials:

5-(5-chloro-2-methyl-phenyl)-1,1-dimethyl-biguanide

3-Phenyl-5-<Ω-(dimethyl-guanidino>-1,2,4-oxadiazol

4-chloro-2-dimethylamino-6-phenyl-1,3,5-triazine

2-chloro-4,6-bis(dimethylamino)-1,3,5-triazine

Refernces

• 1、 -. "FUSED BICYCLIC ALKYLENE LINKED IMIDODICARBONIMIDIC DIAMIDES, METHODS FOR SYNTHESIS, AND USES IN THERARY". Paragraph 0221-0222. . Retrieved 2018/06/30.
• 2、 -. "DUAL INHIBITOR COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS AND ALZHEIMER'S DISEASE". Page/Page column 39; 40; 41. . Retrieved 2016/01/01.