Molecular Structure of (R)-Nipecotic acid ethyl ester (CAS NO.25137-01-3):
IUPAC Name: Ethyl (3R)-piperidine-3-carboxylate
Canonical SMILES: CCOC(=O)C1CCCNC1
Isomeric SMILES: CCOC(=O)[C@@H]1CCCNC1
InChI: InChI=1S/C8H15NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h7,9H,2-6H2,1H3/t7-/m1/s1
InChIKey: XIWBSOUNZWSFKU-SSDOTTSWSA-N
Molecular Weight: 157.2102 [g/mol]
Molecular Formula: C8H15NO2
XLogP3: 0.1
H-Bond Donor: 1
H-Bond Acceptor: 3
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: 90.6 °C
Enthalpy of Vaporization: 47.55 kJ/mol
Boiling Point: 238.6 °C at 760 mmHg
Vapour Pressure: 0.042 mmHg at 25 °C
storage temp.: Refrigerator
Product Categories: Piperidine; Heterocyclic Compounds; Chiral Building Blocks; Esters (Chiral); Synthetic Organic Chemistry
Safety Information of (R)-Nipecotic acid ethyl ester (CAS NO.25137-01-3):
Hazard Codes: Xi
Risk Statements: 36/37/38-41-37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
R41:Risk of serious damage to the eyes.
R37/38:Irritating to respiratory system and skin.
Safety Statements: 26-36/37/39-39-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S39:Wear eye / face protection.
S36:Wear suitable protective clothing.
(R)-Nipecotic acid ethyl ester (CAS NO.25137-01-3), its Synonyms are 3-Piperidinecarboxylicacid, ethyl ester, (R)- ; Nipecotic acid, ethyl ester, (R)-(-)- (8CI) ; (-)-Ethylnipecotate ; (-)-Nipecotic acid ethyl ester; (3R)-3-Piperidinecarboxylic acidethyl ester ; (R)-3-Piperidinecarboxylicacid ethyl ester ; (R)-Ethyl nipecotate ; (R)-Piperidine-3-carboxylic acid ethyl ester ; Ethyl (3R)-piperidinecarboxylate ; Ethyl (R)-3-piperidinecarboxylate ; Ethyl (R)-3-piperidinecarboxylate .
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