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Methyl 1-Benzyl-5-oxopyrrolidine-3-carboxylate

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Name

Methyl 1-Benzyl-5-oxopyrrolidine-3-carboxylate

EINECS 257-257-9
CAS No. 51523-00-3 Density 1.213 g/cm3
Solubility Melting Point
Formula C13H15NO3 Boiling Point 396.6 °C at 760 mmHg
Molecular Weight 233.26 Flash Point 193.6 °C
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Safety Risk Codes
Molecular Structure Molecular Structure of 51523-00-3 (Methyl  1-Benzyl-5-oxopyrrolidine-3-carboxylate) Hazard Symbols
Synonyms

3-Pyrrolidinecarboxylic acid,5-oxo-1-(phenylmethyl)-,methyl ester;Methyl 5-oxo-1-benzylpyrrolidine-3-carboxylate;

 

Methyl 1-Benzyl-5-oxopyrrolidine-3-carboxylate Specification

The systematic name of this chemical is Methyl 1-Benzyl-5-oxopyrrolidine-3-carboxylate. The CAS registry number is 51523-00-3. In addition, the molecular formula is C13H15NO3 and the molecular weight is 233.26. It is also called 3-pyrrolidinecarboxylic acid,5-oxo-1-(phenylmethyl)-,methyl ester. What's more, it should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 1.10; (2)ACD/LogD (pH 5.5): 1.1; (3)ACD/LogD (pH 7.4): 1.1; (4)ACD/BCF (pH 5.5): 4.06; (5)ACD/BCF (pH 7.4): 4.06; (6)ACD/KOC (pH 5.5): 94.9; (7)ACD/KOC (pH 7.4): 94.9; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 46.61 Å2; (11)Index of Refraction: 1.561; (12)Molar Refractivity: 62.26 cm3; (13)Molar Volume: 192.1 cm3; (14)Polarizability: 24.68 ×10-24cm3; (15)Surface Tension: 49.4 dyne/cm; (16)Density: 1.213 g/cm3; (17)Flash Point: 193.6 °C; (18)Enthalpy of Vaporization: 64.69 kJ/mol; (19)Boiling Point: 396.6 °C at 760 mmHg; (20)Vapour Pressure: 1.69E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N(Cc1ccccc1)CC(C(=O)OC)C2
(2)InChI: InChI=1/C13H15NO3/c1-17-13(16)11-7-12(15)14(9-11)8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
(3)InChIKey: WTRWSSDZHQOPJI-UHFFFAOYAW

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