Ethyl 1-benzyl-4-oxo-pyrrolidine-3-carboxylate supplier

Name
Ethyl 1-benzyl-4-oxo-pyrrolidine-3-carboxylate
EINECS
CAS No. 1027-35-6
Article Data4
CAS DataBase
Density 1.184 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₇NO₃
Boiling Point 358.1 °C at 760 mmHg
Molecular Weight 247.294
Flash Point 170.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Pyrrolidinecarboxylicacid, 1-benzyl-4-oxo-, ethyl ester (7CI,8CI);1-Benzyl-4-oxopyrrolidine-3-carboxylicacid ethyl ester;Ethyl 1-benzyl-4-pyrrolidone-3-carboxylate;NSC 121147;Ethyl 4-oxo-1-(phenylmethyl)pyrrolidine-3-carboxylate;
PSA 46.61000
LogP 1.18850

Ethyl 1-benzyl-4-oxo-pyrrolidine-3-carboxylate Specification

The 3-Pyrrolidinecarboxylicacid, 4-oxo-1-(phenylmethyl)-, ethyl ester, with the CAS registry number 1027-35-6, is also known as Ethyl 4-oxo-1-(phenylmethyl)pyrrolidine-3-carboxylate. This chemical's molecular formula is C₁₄H₁₇NO₃and molecular weight is 247.289680. What's more, its IUPAC name is Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate.

Physical properties about 3-Pyrrolidinecarboxylicacid, 4-oxo-1-(phenylmethyl)-, ethyl ester are: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 46.61 Å²; (7)Index of Refraction: 1.554; (8)Molar Refractivity: 66.89 cm³; (9)Molar Volume: 208.6 cm³; (10)Polarizability: 26.51×10^-24 cm³; (11)Surface Tension: 48.1 dyne/cm; (12)Density: 1.184 g/cm³; (13)Flash Point: 170.4 °C; (14)Enthalpy of Vaporization: 60.36 kJ/mol; (15)Boiling Point: 358.1 °C at 760 mmHg; (16)Vapour Pressure: 2.6E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2CN(Cc1ccccc1)CC2C(=O)OCC
(2) InChI: InChI=1/C14H17NO3/c1-2-18-14(17)12-9-15(10-13(12)16)8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
(3) InChIKey: XLKXIFXOWMGWNT-UHFFFAOYAC

Product Name

Ethyl 1-benzyl-4-oxo-pyrrolidine-3-carboxylate

Ethyl 1-benzyl-4-oxo-pyrrolidine-3-carboxylate Specification

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