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42435-88-1

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Basic Information
CAS No.: 42435-88-1
Name: L-Proline, 1-methyl-5-oxo-, methyl ester (9CI)
Article Data: 16
Molecular Structure:
Molecular Structure of 42435-88-1 (L-Proline, 1-methyl-5-oxo-, methyl ester (9CI))
Formula: C7H11NO3
Molecular Weight: 157.169
Synonyms: 1-Methyl-5-oxo-L-prolinemethyl ester;1-Methylpyroglutamic acid methyl ester;Methyl (S)-1-methylpyroglutamate;
Density: 1.173 g/cm3
Melting Point: 263.7 °C at 760 mmHg
Boiling Point: 113.3 °C
PSA: 46.61000
LogP: -0.28190
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Specification

The L-Proline, 1-methyl-5-oxo-, methyl ester, with the CAS registry number 42435-88-1, is also known as 1-Methyl-5-oxoproline methyl ester. It belongs to the product category of Pyrrole. This chemical's molecular formula is C7H11NO3 and molecular weight is 157.1671. Its systematic name is called methyl 1-methyl-5-oxo-L-prolinate.

Physical properties of L-Proline, 1-methyl-5-oxo-, methyl ester: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 8.02; (4)ACD/KOC (pH 7.4): 8.02; (5)#H bond acceptors: 4; (6)#Freely Rotating Bonds: 2; (7)Index of Refraction: 1.476; (8)Molar Refractivity: 37.8 cm3; (9)Molar Volume: 133.8 cm3; (10)Surface Tension: 39.5 dyne/cm; (11)Density: 1.173 g/cm3; (12)Flash Point: 113.3 °C; (13)Enthalpy of Vaporization: 50.15 kJ/mol; (14)Boiling Point: 263.7 °C at 760 mmHg; (15)Vapour Pressure: 0.0101 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)[C@@H]1CCC(=O)N1C
(2)InChI: InChI=1/C7H11NO3/c1-8-5(7(10)11-2)3-4-6(8)9/h5H,3-4H2,1-2H3/t5-/m0/s1
(3)InChIKey: ABAOXDQXQHQRFA-YFKPBYRVBG