Benzyl nicotinate

For Research Use Only.
Category
Impurities
Cat.No.
NP2761
CAS
94-44-0
Product Name
Benzyl nicotinate
Structure

Product Details

Description
Benzyl nicotinate is a metabolite of Nicotine, which is a potent parasympathomimetic stimulant.
Synonyms
3-pyridinecarboxylic acid phenylmethyl ester
IUPAC Name
benzyl pyridine-3-carboxylate
Molecular Weight
213.23
Molecular Formula
C13H11NO2
Canonical SMILES
C1=CC=C(C=C1)COC(=O)C2=CN=CC=C2
InChI
InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2
InChIKey
KVYGGMBOZFWZBQ-UHFFFAOYSA-N
Boiling Point
177 °C at 8 mmHg
Melting Point
22-24 °C
Purity
97 %
Density
1.1165 g/cm3
Appearance
Colorless to yellow liquid or solid
Form
Powder
MDL
MFCD00023584
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