Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate |
EINECS | N/A |
CAS No. | 17740-40-8 | Density | 1.146g/cm3 |
PSA | 55.84000 | LogP | 2.08370 |
Solubility | N/A | Melting Point |
N/A |
Formula | C17H23NO4 | Boiling Point | 381.3°Cat760mmHg |
Molecular Weight | 305.374 | Flash Point | 184.4°C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
C:Corrosive; |
|
Molecular Structure | Hazard Symbols | R34:Causes burns.; | |
Synonyms |
1-Benzyl-2,5-bis(ethoxycarbonyl)pyrrolidine; |
Article Data | 7 |
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.