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CAS No.: | 41994-50-7 |
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Name: | Diethyl pyrrolidine-2,5-dicarboxylate |
Molecular Structure: | |
Formula: | C10H17NO4 |
Molecular Weight: | 215.25 |
Synonyms: | 2,5-Pyrrolidinedicarboxylic acid, 2,5-diethyl ester; |
Density: | 1.115 g/cm3 |
Boiling Point: | 280.707 °C at 760 mmHg |
Flash Point: | 123.567 °C |
PSA: | 64.63000 |
LogP: | 0.56200 |
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The Diethyl pyrrolidine-2,5-dicarboxylate, with the CAS registry number 41994-50-7, is also called 2,5-Pyrrolidinedicarboxylic acid, 2,5-diethyl ester. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H17NO4.
The characteristics of Diethyl pyrrolidine-2,5-dicarboxylate are as followings: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 33; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 64.63 Å2; (12)Index of Refraction: 1.461; (13)Molar Refractivity: 52.962 cm3; (14)Molar Volume: 192.987 cm3; (15)Polarizability: 20.996×10-24cm3; (16)Surface Tension: 37.064 dyne/cm; (17)Density: 1.115 g/cm3; (18)Flash Point: 123.567 °C; (19)Enthalpy of Vaporization: 51.946 kJ/mol; (20)Boiling Point: 280.707 °C at 760 mmHg; (21)Vapour Pressure: 0.004 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCC)C1CCC(N1)C(=O)OCC
(2)InChI: InChI=1/C10H17NO4/c1-3-14-9(12)7-5-6-8(11-7)10(13)15-4-2/h7-8,11H,3-6H2,1-2H3
(3)InChIKey: XDYNGPAGOCWBMK-UHFFFAOYAE