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Basic Information
CAS No.: 3284-52-4
Name: ethyl 3-hydroxy-3-methyl-1-tosylpyrrolidine-2-carboxylate
Article Data: 7
Molecular Structure:
Molecular Structure of 3284-52-4 (ethyl 3-hydroxy-3-methyl-1-tosylpyrrolidine-2-carboxylate)
Formula: C15H21NO5S
Molecular Weight: 327.401
Synonyms: Proline, 3-hydroxy-3-methyl-1-[(4-methylphenyl)sulfonyl]-, ethyl ester;
Density: 1.295 g/cm3
Boiling Point: 463.358 °C at 760 mmHg
Flash Point: 234.031 °C
PSA: 92.29000
LogP: 2.09080
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Specification

The Ethyl 3-hydroxy-3-methyl-1-tosylpyrrolidine-2-carboxylate, with the CAS registry number 3284-52-4, is also known as Proline, 3-hydroxy-3-methyl-1-[(4-methylphenyl)sulfonyl]-, ethyl ester. This chemical's molecular formula is C15H21NO5S and molecular weight is 327.39. Its systematic name is called ethyl 3-hydroxy-3-methyl-1-[(4-methylphenyl)sulfonyl]prolinate.

Physical properties of Ethyl 3-hydroxy-3-methyl-1-tosylpyrrolidine-2-carboxylate: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 22; (6)ACD/BCF (pH 7.4): 22; (7)ACD/KOC (pH 5.5): 318; (8)ACD/KOC (pH 7.4): 318; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.566; (13)Molar Refractivity: 82.455 cm3; (14)Molar Volume: 252.844 cm3; (15)Surface Tension: 51.011 dyne/cm; (16)Density: 1.295 g/cm3; (17)Flash Point: 234.031 °C; (18)Enthalpy of Vaporization: 76.343 kJ/mol; (19)Boiling Point: 463.358 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(O)CCN(C1C(=O)OCC)S(=O)(=O)c2ccc(C)cc2
(2)InChI: InChI=1/C15H21NO5S/c1-4-21-14(17)13-15(3,18)9-10-16(13)22(19,20)12-7-5-11(2)6-8-12/h5-8,13,18H,4,9-10H2,1-3H3
(3)InChIKey: DUJJLVJTVQPWIJ-UHFFFAOYAN