Niacinamide hydrochloride

Base Information

• Chemical Name: Niacinamide hydrochloride
• CAS No.: 25334-23-0
• Molecular Formula: C6H6 N2 O . Cl H
• Molecular Weight: 158.587
• Hs Code.: 2933399090
• European Community (EC) Number: 246-862-3
• UNII: 4D16EOF1QW
• DSSTox Substance ID: DTXSID00179982
• Wikidata: Q27259427
• Mol file: 25334-23-0.mol

Synonyms:Nicotinamide hydrochloride;NIACINAMIDE HYDROCHLORIDE;25334-23-0;Nicotinamide HCl;pyridine-3-carboxamide;hydrochloride;UNII-4D16EOF1QW;Niacinamide (Hydrochloride);Nicotinamide (Hydrochloride);4D16EOF1QW;EINECS 246-862-3;3-Pyridinecarboxamide, monohydrochloride (9CI);Nicotinamide, monohydrochloride (8CI);C6H6N2O.ClH;Nicotinamide, monohydrochloride;C6-H6-N2-O.Cl-H;SCHEMBL1220080;HY-B0150A;DTXSID00179982;3-Pyridinecarboxamide, monohydrochloride;3-PYRIDINECARBOXAMIDE HYDROCHLORIDE;CS-0013702;FT-0778268;Q27259427

Chemical Property of Niacinamide hydrochloride

Chemical Property:

• Vapor Pressure: 0.000128mmHg at 25°C
• Boiling Point: 334.4°Cat760mmHg
• Flash Point: 156°C
• PSA: 55.98000
• Density: g/cm³
• LogP: 1.68280
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 158.0246905
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C(=O)N.Cl

Technology Process of Niacinamide hydrochloride

There total 2 articles about Niacinamide hydrochloride 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:

vinylsulfonyl chloride (6608-47-5) + nicotinamide (98-92-0,1255150-40-3) → nicotinamide hydrochloride (25334-23-0) + C8H10N2O4S (7143-58-0) + Nicotinamide; compound with ethenesulfonic acid

Guidance literature:

With potassium chloride; water; In 1,2-dimethoxyethane; at 25 - 45 ℃; Kinetics; Thermodynamic data; Product distribution; ΔH(excit.), ΔS(excit.);

DOI:10.1139/v84-339

Reference yield:

3-carbamoyl-1-[(1R,2S,5R)-(-)-menthoxymethyl]pyridinium chloride → formaldehyd (50-00-0,30525-89-4,61233-19-0) + (-)-menthol (2216-51-5) + nicotinamide hydrochloride (25334-23-0)

Guidance literature:

In water; Further Variations:; Temperatures; Kinetics;

DOI:10.1016/j.tetasy.2006.06.014

Reference yield: 52.0%

oxalyl dichloride (79-37-8) + nicotinamide hydrochloride (25334-23-0) + benzamide (55-21-0,27208-38-4) → 6-phenyl-4-(pyridin-3-yl)-1,3,5-triazine-2(1H)-one

Guidance literature:

oxalyl dichloride; benzamide; In 5,5-dimethyl-1,3-cyclohexadiene; at 60 ℃; for 2h; Schlenk technique;

nicotinamide hydrochloride; In 5,5-dimethyl-1,3-cyclohexadiene; at 130 ℃; for 12h; Schlenk technique;

upstream raw materials:

vinylsulfonyl chloride

nicotinamide

Downstream raw materials:

nipecotamide

N-(pyridin-3-yl)pyridine-3-carboxamide

N-(pyridin-4-yl)pyridine-3-carboxamide

Refernces

• 1、 King,Hillhouse,Skonieczny. "Vinylogous nucleophilic catalysis. Tertiary amine promoted hydrolysis of 1-alkene-1-sulfonyl chlorides". . p. 1977 - 1995. Retrieved 2007/10/02.