Product Name

  • Name

    N-Benzylniacin

  • EINECS 240-129-1
  • CAS No. 15990-43-9
  • Article Data4
  • CAS DataBase
  • Density 1.09 g/cm3
  • Solubility Soluble in water
  • Melting Point
  • Formula C13H11NO2
  • Boiling Point
  • Molecular Weight 213.236
  • Flash Point
  • Transport Information
  • Appearance light yellow paste
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 15990-43-9 (N-Benzylniacin)
  • Hazard Symbols
  • Synonyms 1-Benzyl-3-carboxypyridiniumhydroxide inner salt (6CI);Pyridinium, 3-carboxy-1-(phenylmethyl)-, hydroxide, inner salt;1-Benzylpyridinium-3-carboxylate;N-Benzyl nicotinate betaine;N-Benzylpyridinium-3-carboxylate;
  • PSA 44.01000
  • LogP 0.38590

Synthetic route

1-benzylnicotinamide chloride
5096-13-9

1-benzylnicotinamide chloride

N-benzyl nicotinic acid
15990-43-9

N-benzyl nicotinic acid

Conditions
ConditionsYield
With sodium hydroxide
Multi-step reaction with 2 steps
1: 80 percent / benzene / 2 h / Ambient temperature
2: 0.48 g / water / Ambient temperature
View Scheme
1'-Benzyl-3,4,5,6,1',2'-hexahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid amide
75340-31-7

1'-Benzyl-3,4,5,6,1',2'-hexahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid amide

A

N-benzyl nicotinic acid
15990-43-9

N-benzyl nicotinic acid

B

Bis-(1-benzyl-3-carbamoyl-1,4-dihydro-pyridyl)-ether
75340-29-3

Bis-(1-benzyl-3-carbamoyl-1,4-dihydro-pyridyl)-ether

Conditions
ConditionsYield
With water Ambient temperature;A 0.48 g
B 0.12 g
1-benzyl-3-carbomethoxy pyridinium iodide

1-benzyl-3-carbomethoxy pyridinium iodide

N-benzyl nicotinic acid
15990-43-9

N-benzyl nicotinic acid

Conditions
ConditionsYield
With Dowex 1 (OH(-) form) X8 Yield given;
nicotinic acid
59-67-6

nicotinic acid

N-benzyl nicotinic acid
15990-43-9

N-benzyl nicotinic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: H2SO4 / 24 h / Heating
2: benzene / 3 h / Heating
3: Dowex 1 (OH(-) form) X8
View Scheme
methyl 3-pyridinecarboxylate
93-60-7

methyl 3-pyridinecarboxylate

N-benzyl nicotinic acid
15990-43-9

N-benzyl nicotinic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: benzene / 3 h / Heating
2: Dowex 1 (OH(-) form) X8
View Scheme
nicotinamide
98-92-0

nicotinamide

N-benzyl nicotinic acid
15990-43-9

N-benzyl nicotinic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
2: 80 percent / benzene / 2 h / Ambient temperature
3: 0.48 g / water / Ambient temperature
View Scheme
benzyl chloride
100-44-7

benzyl chloride

N-benzyl nicotinic acid
15990-43-9

N-benzyl nicotinic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
2: 80 percent / benzene / 2 h / Ambient temperature
3: 0.48 g / water / Ambient temperature
View Scheme

N-Benzylniacin Chemical Properties

Empirical Formula of N-Benzylniacin (CAS NO.15990-43-9): C13H11NO2
Molecular Weight: 213.2319 g/mol
EINECS: 240-129-1
Structure of N-Benzylniacin (CAS NO.15990-43-9):
                     
IUPAC Name: 1-Benzylpyridin-1-ium-3-carboxylate
Canonical SMILES: C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)[O-]
InChI: InChI=1S/C13H11NO2/c15-13(16)12-7-4-8-14(10-12)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKey: AVWFAACIXBQMBF-UHFFFAOYSA-N

N-Benzylniacin Specification

 N-Benzylniacin , its cas register number is 15990-43-9. It also can be called 1-Benzyl pyridinium-3-carboxylate ; N-Benzyl nicotinate betaine ; N-Benzylpyridinium-3-carboxylate ; 1-Benzyl-3-carboxypyridinium hydroxide inner salt ; Benzyl pyridinium 3-carboxylate and BPC-48 .

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