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| CAS No.: | 75172-31-5 |
|---|---|
| Name: | (3R,4R)-1-Benzyl-3,4-dihydroxypyrrolidine-2,5-dione |
| Molecular Structure: | |
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| Formula: | C11H11NO4 |
| Molecular Weight: | 221.213 |
| Synonyms: | 2,5-Pyrrolidinedione,3,4-dihydroxy-1-(phenylmethyl)-, (3R-trans)-;(3R,4R)-1-Benzyl-3,4-dihydroxypyrrolidine-2,5-dione; |
| Density: | 1.525 g/cm3 |
| Melting Point: | 196-198 °C(Solv: ethanol (64-17-5)) |
| Boiling Point: | 489.3 °C at 760 mmHg |
| Flash Point: | 249.7 °C |
| PSA: | 77.84000 |
| LogP: | -0.78490 |
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Specification
The (3R,4R)-1-Benzyl-3,4-dihydroxypyrrolidine-2,5-dione, with the cas registry number 75172-31-5, is also called 2,5-pyrrolidinedione, 3,4-dihydroxy-1-(phenylmethyl)-, (3R,4R)-. And the molecular formula of the chemical is C11H11NO4.
The characteristics of this chemical are as followings: (1)ACD/LogP: 0.01; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 55.84 Å2; (7)Index of Refraction: 1.676; (8)Molar Refractivity: 54.62 cm3; (9)Molar Volume: 145 cm3; (10)Polarizability: 21.65×10-24cm3; (11)Surface Tension: 85.5 dyne/cm; (12)Density: 1.525 g/cm3; (13)Flash Point: 249.7 °C; (14)Enthalpy of Vaporization: 79.58 kJ/mol; (15)Boiling Point: 489.3 °C at 760 mmHg; (16)Vapour Pressure: 2.18E-10 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1N(C(=O)[C@H](O)[C@H]1O)Cc2ccccc2
(2)InChI: InChI=1/C11H11NO4/c13-8-9(14)11(16)12(10(8)15)6-7-4-2-1-3-5-7/h1-5,8-9,13-14H,6H2/t8-,9-/m1/s1
(3)InChIKey: IZBMPGFJNIDMRR-RKDXNWHRBT