NICOTINIC ACID, PENTAMETHYLENE ESTER

5-(pyridine-3-carbonyloxy)pentyl pyridine-3-carboxylate

CAS: 101952-68-5

Molecular Formula	`C17H18N2O4`
Molecular Weight	314.34 g/mol
LogP	2.6
Topological Polar Surface Area	78.4 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	10
Exact Mass	314.12665
Heavy Atoms	23
Complexity	342.0

Chemical Identifiers

CAS Number	101952-68-5
SMILES	`C1=CC(=CN=C1)C(=O)OCCCCCOC(=O)C2=CN=CC=C2`
InChIKey	`QXAAJEOJGGACLR-UHFFFAOYSA-N`

📖 Product Overview

NICOTINIC ACID, PENTAMETHYLENE ESTER (CAS: 101952-68-5) is a chemical compound with molecular formula C17H18N2O4 and molecular weight 314.34 g/mol. Its IUPAC systematic name is 5-(pyridine-3-carbonyloxy)pentyl pyridine-3-carboxylate. LogP 2.6 Topological Polar Surface Area 78.4 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 10 Exact Mass 314.12665 Heavy Atoms 23 Complexity 342.0 InChI Key: QXAAJEOJGGACLR-UHFFFAOYSA-N. SMILES: C1=CC(=CN=C1)C(=O)OCCCCCOC(=O)C2=CN=CC=C2.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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