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Cas Database |
| Name |
L-Proline, 1-methyl-5-oxo-, methyl ester |
EINECS | N/A |
| CAS No. | 42435-88-1 | Density | 1.173 g/cm3 |
| PSA | 46.61000 | LogP | -0.28190 |
| Solubility | N/A | Melting Point |
263.7 °C at 760 mmHg |
| Formula | C7H11NO3 | Boiling Point | 113.3 °C |
| Molecular Weight | 157.169 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Methyl-5-oxo-L-prolinemethyl ester;1-Methylpyroglutamic acid methyl ester;Methyl (S)-1-methylpyroglutamate; |
Article Data | 16 |
L-Proline, 1-methyl-5-oxo-, methyl ester 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
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