Methyl 5-oxopyrrolidine-2-carboxylate supplier

Name
5-OXO-PYRROLIDINE-2-CARBOXYLIC ACID METHYL ESTER
EINECS 259-233-3
CAS No. 54571-66-3
Article Data37
CAS DataBase
Density 1.204g/cm³
Solubility
Melting Point 21-23℃ lit.
Formula C₆H₉NO₃
Boiling Point 304.7 °C at 760 mmHg
Molecular Weight 143.142
Flash Point 138.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms DL-Proline,5-oxo-, methyl ester;(?à)-Methyl 5-oxo-2-pyrrolidinecarboxylate;Methyl5-oxopyrrolidine-2-carboxylate;Methyl DL-pyroglutamate;
PSA 55.40000
LogP -0.23320

Methyl 5-oxopyrrolidine-2-carboxylate Specification

The Methyl 5-oxopyrrolidine-2-carboxylate, with CAS registry number 54571-66-3, belongs to the following product category: Pharmacetical. has the systematic name of methyl 5-oxoprolinate. Besides this, it is also called 5-Oxo-pyrrolidine-2-carboxylic acid methyl ester. And the chemical formula of this chemical is C₆H₉NO₃. What's more, its EINECS is 259-233-3.

Physical properties of Methyl 5-oxopyrrolidine-2-carboxylate: (1)ACD/LogP: -1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.92; (4)ACD/LogD (pH 7.4): -1.92; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.14; (8)ACD/KOC (pH 7.4): 2.14; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 32.87 cm³; (15)Molar Volume: 118.8 cm³; (16)Polarizability: 13.03×10^-24cm³; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 1.204 g/cm³; (19)Flash Point: 138.1 °C; (20)Enthalpy of Vaporization: 54.51 kJ/mol; (21)Boiling Point: 304.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000859 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C1NC(=O)CC1
(2)InChI: InChI=1/C6H9NO3/c1-10-6(9)4-2-3-5(8)7-4/h4H,2-3H2,1H3,(H,7,8)
(3)InChIKey: HQGPKMSGXAUKHT-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C6H9NO3/c1-10-6(9)4-2-3-5(8)7-4/h4H,2-3H2,1H3,(H,7,8)
(5)Std. InChIKey: HQGPKMSGXAUKHT-UHFFFAOYSA-N

Product Name

5-OXO-PYRROLIDINE-2-CARBOXYLIC ACID METHYL ESTER

Methyl 5-oxopyrrolidine-2-carboxylate Specification

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