Diethyl pyrrolidine-2,5-dicarboxylate supplier

Name
Diethyl pyrrolidine-2,5-dicarboxylate
EINECS
CAS No. 41994-50-7
Density 1.115 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₇NO₄
Boiling Point 280.707 °C at 760 mmHg
Molecular Weight 215.25
Flash Point 123.567 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,5-Pyrrolidinedicarboxylic acid, 2,5-diethyl ester;
PSA 64.63000
LogP 0.56200

Diethyl pyrrolidine-2,5-dicarboxylate Specification

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

Product Name

Diethyl pyrrolidine-2,5-dicarboxylate

Diethyl pyrrolidine-2,5-dicarboxylate Specification

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