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107599-40-6

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Basic Information
CAS No.: 107599-40-6
Name: Methyl 1-ethylpyrrolidine-2-carboxylate
Article Data: 6
Molecular Structure:
Molecular Structure of 107599-40-6 (Methyl 1-ethylpyrrolidine-2-carboxylate)
Formula: C8H15NO2
Molecular Weight: 157.213
Synonyms: Methyl 1-ethylprolinate;1-Ethyl-2-pyrrolidinecarboxylic acid, methyl ester;L-Proline, 1-ethyl-,methyl ester;
Density: 1.014 g/cm3
Boiling Point: 188.2 °C at 760 mmHg
Flash Point: 66.8 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 29.54000
LogP: 0.58160
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Specification

The Methyl 1-ethylpyrrolidine-2-carboxylate, with the CAS registry number 107599-40-6, is also known as L-Proline, 1-ethyl-,methyl ester. It belongs to the product category of Pyrrole. This chemical's molecular formula is C8H15NO2 and molecular weight is 157.21. What's more, its systematic name is methyl 1-ethylprolinate.

Physical properties of Methyl 1-ethylpyrrolidine-2-carboxylate are: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.95; (4)ACD/LogD (pH 7.4): -0.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 4.46; (8)#H bond acceptors: 3; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.458; (13)Molar Refractivity: 42.29 cm3; (14)Molar Volume: 154.9 cm3; (15)Surface Tension: 32.7 dyne/cm; (16)Density: 1.014 g/cm3; (17)Flash Point: 66.8 °C; (18)Enthalpy of Vaporization: 42.44 kJ/mol; (19)Boiling Point: 188.2 °C at 760 mmHg; (20)Vapour Pressure: 0.608 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C1N(CC)CCC1
(2)InChI: InChI=1S/C8H15NO2/c1-3-9-6-4-5-7(9)8(10)11-2/h7H,3-6H2,1-2H3
(3)InChIKey: QHWKVODROGDHIE-UHFFFAOYSA-N