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438492-33-2

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Basic Information
CAS No.: 438492-33-2
Name: Methyl 1-benzyl-4-phenylpyrrolidine-3-carboxylate
Article Data: 14
Molecular Structure:
Molecular Structure of 438492-33-2 (Methyl 1-benzyl-4-phenylpyrrolidine-3-carboxylate)
Formula: C19H21NO2
Molecular Weight: 295.381
Synonyms: TC-061400;
Density: 1.137 g/cm3
Boiling Point: 402.347 °C at 760 mmHg
Flash Point: 134.292 °C
PSA: 29.54000
LogP: 3.01310
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Specification

The Methyl 1-benzyl-4-phenylpyrrolidine-3-carboxylate, with the CAS registry number of 438492-33-2, is also known as TC-061400. This chemical's molecular formula is C19H21NO2 and molecular weight is 295.3755. What's more, its systematic name is called Methyl 1-benzyl-4-phenylpyrrolidine-3-carboxylate.

Physical properties about Methyl 1-benzyl-4-phenylpyrrolidine-3-carboxylate are: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 51; (7)ACD/KOC (pH 5.5): 8; (8)ACD/KOC (pH 7.4): 404; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 86.575 cm3; (15)Molar Volume: 259.876 cm3; (16)Surface Tension: 45.842 dyne/cm; (17)Density: 1.137 g/cm3; (18)Flash Point: 134.292 °C; (19)Enthalpy of Vaporization: 65.349 kJ/mol; (20)Boiling Point: 402.347 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)C3CN(Cc1ccccc1)CC3c2ccccc2
(2) InChI: InChI=1/C19H21NO2/c1-22-19(21)18-14-20(12-15-8-4-2-5-9-15)13-17(18)16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3
(3) InChIKey: CBOILEULVFQPKE-UHFFFAOYAR