(3R,4R)-1-Benzyl-3,4-dihydroxypyrrolidine-2,5-dione supplier

Name
(3R,4R)-1-Benzyl-3,4-dihydroxypyrrolidine-2,5-dione
EINECS
CAS No. 75172-31-5
Article Data48
CAS DataBase
Density 1.525 g/cm³
Solubility
Melting Point 196-198 °C(Solv: ethanol (64-17-5))
Formula C₁₁H₁₁NO₄
Boiling Point 489.3 °C at 760 mmHg
Molecular Weight 221.213
Flash Point 249.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,5-Pyrrolidinedione,3,4-dihydroxy-1-(phenylmethyl)-, (3R-trans)-;(3R,4R)-1-Benzyl-3,4-dihydroxypyrrolidine-2,5-dione;
PSA 77.84000
LogP -0.78490

(3R,4R)-1-Benzyl-3,4-dihydroxypyrrolidine-2,5-dione 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

Product Name

(3R,4R)-1-Benzyl-3,4-dihydroxypyrrolidine-2,5-dione

(3R,4R)-1-Benzyl-3,4-dihydroxypyrrolidine-2,5-dione Specification

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