1,1-Dimethyl-4-phenylpiperazinium iodide

Base Information

• Chemical Name: 1,1-Dimethyl-4-phenylpiperazinium iodide
• CAS No.: 54-77-3
• Molecular Formula: C12H19 N2 . I
• Molecular Weight: 318.201
• Hs Code.: 2933599090
• European Community (EC) Number: 200-213-0
• NSC Number: 89754
• UNII: X95H7DRX99
• DSSTox Substance ID: DTXSID90968822
• Wikidata: Q27106326
• Metabolomics Workbench ID: 53118
• ChEMBL ID: CHEMBL47814
• Mol file: 54-77-3.mol

Synonyms:1,1 Dimethyl 4 phenylpiperazine Iodide;1,1-Dimethyl-4-phenylpiperazine Iodide;Dimethylphenylpiperazinium;Dimethylphenylpiperazinium Iodide;DMPP;Iodide, 1,1-Dimethyl-4-phenylpiperazine;Iodide, Dimethylphenylpiperazinium

Chemical Property of 1,1-Dimethyl-4-phenylpiperazinium iodide

Chemical Property:

• Appearance/Colour: white powder
• Melting Point: 234-238 °C(lit.)
• PSA: 3.24000
• Density: 1.3965 (estimate)
• LogP: -1.38920
• Storage Temp.: −20°C
• Solubility.: H2O: 21 mg/mL
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 318.05930
• Heavy Atom Count: 15
• Complexity: 173

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,1-Dimethyl-4-phenylpiperazinium iodide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CCN(CC1)C2=CC=CC=C2)C.[I-]
• Uses: 1,1-Dimethyl-4-phenylpiperazinium iodide is nicotinic acetylcholine receptor agonist. Nitrification inhibitor that can potentially increase fertilizer N use efficiency (NUE).

Technology Process of 1,1-Dimethyl-4-phenylpiperazinium iodide

There total 4 articles about 1,1-Dimethyl-4-phenylpiperazinium iodide 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:

aniline (62-53-3) → 1,1-dimethyl-4-phenylpiperazinium iodide (54-77-3)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol

With methanol;

Reference yield:

mechlorethamine hydrochloride (55-86-7) → 1,1-dimethyl-4-phenylpiperazinium iodide (54-77-3)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol

With methanol;

Reference yield:

1-methyl-4-phenylpiperazine (3074-43-9) + methyl iodide (74-88-4) → 1,1-dimethyl-4-phenylpiperazinium iodide (54-77-3)

Guidance literature:

upstream raw materials:

1-methyl-4-phenylpiperazine

methyl iodide

mechlorethamine hydrochloride

aniline

Refernces