Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate supplier

Name
DIETHYL 1-BENZYLPYRROLIDINE-2,5-DICARBOXYLATE
EINECS
CAS No. 17740-40-8
Article Data7
CAS DataBase
Density 1.146g/cm³
Solubility
Melting Point
Formula C₁₇H₂₃NO₄
Boiling Point 381.3°Cat760mmHg
Molecular Weight 305.374
Flash Point 184.4°C
Transport Information
Appearance
Safety
Risk Codes C:Corrosive;
Molecular Structure
Hazard Symbols R34:Causes burns.;
Synonyms 1-Benzyl-2,5-bis(ethoxycarbonyl)pyrrolidine;
PSA 55.84000
LogP 2.08370

Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate Specification

The Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate with cas registry number of 17740-40-8, its systematic name is diethyl 1-benzylpyrrolidine-2,5-dicarboxylate. And it is also named 2,5-pyrrolidinedicarboxylic acid, 1-(phenylmethyl)-, diethyl ester.

Physical properties of Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 55.84 Å²; (7)Index of Refraction: 1.53; (8)Molar Refractivity: 82.34 cm³; (9)Molar Volume: 266.3 cm³; (10)Polarizability: 32.64×10^-24cm³; (11)Surface Tension: 44.5 dyne/cm; (12)Enthalpy of Vaporization: 62.95 kJ/mol; (13)Vapour Pressure: 5.14E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C2N(Cc1ccccc1)C(C(=O)OCC)CC2;
(2)InChI: InChI=1/C17H23NO4/c1-3-21-16(19)14-10-11-15(17(20)22-4-2)18(14)12-13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3;
(3)InChIKey: LDUSEIANLSWKPY-UHFFFAOYAI;
(4)Std. InChI: InChI=1S/C17H23NO4/c1-3-21-16(19)14-10-11-15(17(20)22-4-2)18(14)12-13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3;
(5)Std. InChIKey: LDUSEIANLSWKPY-UHFFFAOYSA-N.

Product Name

DIETHYL 1-BENZYLPYRROLIDINE-2,5-DICARBOXYLATE

Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate Specification

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