N-BUTYL NICOTINATE

Molecule structure of Nicotinic acid, butyl ester (CAS NO.6938-06-3) :

IUPAC Name: butyl pyridine-3-carboxylate 
Molecular Weight: 179.21572 g/mol
Molecular Formula: C₁₀H₁₃NO₂
Density: 1.053 g/cm³
Boiling Point: 260.2 °C at 760 mmHg
Flash Point: 106.5 °C
Refractive index: n20/D 1.495(lit.)
Water Solubility: 2610 mg/L 
Molar Volume: 170 cm³
Polarizability: 19.82×10^-24 cm³
Surface Tension: 39.2 dyne/cm 
Enthalpy of Vaporization: 49.78 kJ/mol
Vapour Pressure: 0.0124 mmHg at 25 °C
Henry's Law Constant: 1.06E-07 atm-m³/mole at 25 °C
Atmospheric OH Rate Constant: 4.69E-12 cm³/molecule-sec at 25 °C
XLogP3: 2.3
H-Bond Acceptor: 3
Rotatable Bond Count: 5
Exact Mass: 179.094629
MonoIsotopic Mass: 179.094629
Topological Polar Surface Area: 39.2
Heavy Atom Count: 13
Complexity: 159
Canonical SMILES: CCCCOC(=O)C1=CN=CC=C1
InChI: InChI=1S/C10H13NO2/c1-2-3-7-13-10(12)9-5-4-6-11-8-9/h4-6,8H,2-3,7H2,1H3
InChIKey: DQULIMIQTCDUAN-UHFFFAOYSA-N
EINECS of Nicotinic acid, butyl ester (CAS NO.6938-06-3) : 230-064-7

Reported in EPA TSCA Inventory.

Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of NO_x. See also ESTERS.
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S37/39: Wear suitable gloves and eye/face protection
RTECS: QT0875000

 Nicotinic acid, butyl ester (CAS NO.6938-06-3) is also called 3-Pyridinecarboxylic acid, butyl ester ; Ba 2674 ; N-butyl nicotinate ; Nicotinic acid n-butyl ester ; Butyl nicotinate .