Benzyl nicotinate
CAS Registry Number®
94-44-0
CAS Name
Benzyl nicotinateMolecular Formula
C13H11NO2Molecular Mass
213.23Cite this Page
Benzyl nicotinate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=94-44-0 (retrieved ) (CAS RN: 94-44-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
170 °CMelting Point (2)
24 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Charonnat, R.; Bulletin de la Societe Chimique de France, (1948), 1014-17, CAplus
Other Names and Identifiers
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
InChIKey=KVYGGMBOZFWZBQ-UHFFFAOYSA-N
SMILES
C(OCC1=CC=CC=C1)(=O)C=2C=CC=NC2
Canonical SMILES
O=C(OCC=1C=CC=CC1)C=2C=NC=CC2
Other Names for this Substance
- 3-Pyridinecarboxylic acid, phenylmethyl ester
- Nicotinic acid, benzyl ester
- Benzyl nicotinate
- Benzyl pyridine-3-carboxylate
- Niacin benzyl ester
