Ethyl isonipecotate

IUPAC Name: Ethyl piperidine-4-carboxylate
Synonyms of Ethyl isonipecotate (CAS NO.1126-09-6): Isonipecoticacid, ethyl ester (6CI,7CI,8CI) ; 4-(Ethoxycarbonyl)piperidine ; Ethyl 4-piperidinecarboxylate
CAS NO: 1126-09-6
Molecular Formula: C₈H₁₅NO₂
Molecular Weight: 157.21
Molecular Structure:
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 29.54 Å²
Index of Refraction: 1.448
Molar Refractivity: 41.99 cm³
Molar Volume: 156.6 cm³
Surface Tension: 32 dyne/cm
Density: 1.003 g/cm³
Flash Point: 83.3 °C
Enthalpy of Vaporization: 44.02 kJ/mol
Boiling Point: 204 °C at 760 mmHg
Vapour Pressure: 0.27 mmHg at 25°C
Water Solubility: miscible
Appearance: clear colorless to slightly brown liquid
Product Categories of Ethyl isonipecotate (CAS NO.1126-09-6): Pharmaceutical Intermediates;Piperidines, Piperidones, Piperazines;pharmacetical;AMINOACIDS DERIVATIVES;Piperidine
SMILES: O=C(OCC)C1CCNCC1
InChI: InChI=1/C8H15NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h7,9H,2-6H2,1H3
InChIKey: RUJPPJYDHHAEEK-UHFFFAOYAB
Std. InChI: InChI=1S/C8H15NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h7,9H,2-6H2,1H3
Std. InChIKey: RUJPPJYDHHAEEK-UHFFFAOYSA-N

Safety Information about Ethyl isonipecotate (CAS NO.1126-09-6):
Hazard Codes:C,Xi
Risk Statements: 34-36/37/38
R34: Causes burns. 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 23-24/25-36-26
S23: Do not breathe vapour. 
S24/25: Avoid contact with skin and eyes. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36: Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant
HS Code: 29333999

General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire. Combustible liquid.
Extinguishing Media: Use foam, dry chemical, or carbon dioxide. 
Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage: Keep away from sources of ignition. Store in a cool, dry place. Keep container closed when not in use. Store in a tightly closed container. Corrosives area.