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| CAS No.: | 15990-43-9 |
|---|---|
| Name: | N-Benzylniacin |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C13H11NO2 |
| Molecular Weight: | 213.236 |
| 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; |
| EINECS: | 240-129-1 |
| Density: | 1.09 g/cm3 |
| Solubility: | Soluble in water |
| Appearance: | light yellow paste |
| PSA: | 44.01000 |
| LogP: | 0.38590 |
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- 211914-50-0N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester hydrochloride
- 5096-13-9
1-benzylnicotinamide chloride
- 15990-43-9
N-benzyl nicotinic acid
| Conditions | Yield |
|---|---|
| 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 |
- 75340-31-7
1'-Benzyl-3,4,5,6,1',2'-hexahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid amide
A
- 15990-43-9
N-benzyl nicotinic acid
B
- 75340-29-3
Bis-(1-benzyl-3-carbamoyl-1,4-dihydro-pyridyl)-ether
| Conditions | Yield |
|---|---|
| With water Ambient temperature; | A 0.48 g B 0.12 g |
- 15990-43-9
N-benzyl nicotinic acid
| Conditions | Yield |
|---|---|
| With Dowex 1 (OH(-) form) X8 Yield given; |
- 59-67-6
nicotinic acid
- 15990-43-9
N-benzyl nicotinic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: H2SO4 / 24 h / Heating 2: benzene / 3 h / Heating 3: Dowex 1 (OH(-) form) X8 View Scheme |
- 93-60-7
methyl 3-pyridinecarboxylate
- 15990-43-9
N-benzyl nicotinic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: benzene / 3 h / Heating 2: Dowex 1 (OH(-) form) X8 View Scheme |
- 98-92-0
nicotinamide
- 15990-43-9
N-benzyl nicotinic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 2: 80 percent / benzene / 2 h / Ambient temperature 3: 0.48 g / water / Ambient temperature View Scheme |
- 100-44-7
benzyl chloride
- 15990-43-9
N-benzyl nicotinic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 2: 80 percent / benzene / 2 h / Ambient temperature 3: 0.48 g / water / Ambient temperature View Scheme |
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Chemistry
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
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 .