Molecular structure of Ethyl 1-benzyl-5-oxopyrrolidine-3-carboxylate (CAS NO.5733-87-9) is:
Product Name: Ethyl 1-benzyl-5-oxopyrrolidine-3-carboxylate
CAS Registry Number: 5733-87-9
Molecular Formula: C14H17NO3
Molecular Weight: 247.29
Systematic Name: Ethyl 1-benzyl-5-oxo-pyrrolidine-3-carboxylate
Index of Refraction: 1.554
Molar Refractivity: 66.89 cm3
Molar Volume: 208.6 cm3
Surface Tension: 48.1 dyne/cm
Density: 1.184 g/cm3
Flash Point: 200.3 °C
Enthalpy of Vaporization: 65.95 kJ/mol
Boiling Point: 407.6 °C at 760 mmHg
Vapour Pressure: 7.44E-07 mmHg at 25 °C
SMILES: CCOC(=O)C1CC(=O)N(C1)Cc2ccccc2
InChI: InChI=1/C14H17NO3/c1-2-18-14(17)12-8-13(16)15(10-12)9-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKey: PYAXFXNAKPDEPV-UHFFFAOYAA
Std. InChI: InChI=1S/C14H17NO3/c1-2-18-14(17)12-8-13(16)15(10-12)9-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
Std. InChIKey: PYAXFXNAKPDEPV-UHFFFAOYSA-N
Ethyl 1-benzyl-5-oxopyrrolidine-3-carboxylate , its cas register number is 5733-87-9. It also can be called 3-Pyrrolidinecarboxylicacid, 5-oxo-1-(phenylmethyl)-, ethyl ester ; 3-Pyrrolidinecarboxylicacid, 1-benzyl-5-oxo-, ethyl ester (6CI,7CI,8CI) .
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