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CAS No.: | 61478-25-9 |
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Name: | L-Proline, 4-hydroxy-, ethyl ester, (4R)- (9CI) |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C7H13NO3 |
Molecular Weight: | 159.185 |
Synonyms: | L-Proline, 4-hydroxy-, ethyl ester, (4R)- (9CI); |
Density: | 1.171 g/cm3 |
Boiling Point: | 262.3 °C at 760 mmHg |
Flash Point: | 112.4 °C |
PSA: | 58.56000 |
LogP: | -0.39890 |
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The (2R,4R)-ethyl 4-hydroxypyrrolidine-2-carboxylate, with the CAS registry number of 61478-25-9, is also known as L-Proline, 4-hydroxy-, ethyl ester, (4R)- (9CI). It belongs to the product category of Pyrrole. This chemical's molecular formula is C7H13NO3 and molecular weight is 159.18302. What's more, its systematic name is Ethyl (4R)-4-hydroxy-L-prolinate.
Physical properties about (2R,4R)-ethyl 4-hydroxypyrrolidine-2-carboxylate are: (1)ACD/LogP: -0.85; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 38.77 Å2; (7)Index of Refraction: 1.485; (8)Molar Refractivity: 38.96 cm3; (9)Molar Volume: 135.8 cm3; (10)Polarizability: 15.44×10-24 cm3; (11)Surface Tension: 42.7 dyne/cm; (12)Density: 1.171 g/cm3; (13)Flash Point: 112.4 °C; (14)Enthalpy of Vaporization: 58.07 kJ/mol; (15)Boiling Point: 262.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00157 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)[C@H]1NC[C@H](O)C1
(2) InChI: InChI=1/C7H13NO3/c1-2-11-7(10)6-3-5(9)4-8-6/h5-6,8-9H,2-4H2,1H3/t5-,6+/m1/s1
(3) InChIKey: JMHQESARJMGVCZ-RITPCOANBU