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73200-21-2

Basic Information
CAS No.: 73200-21-2
Name: 1-[(ACETYLOXY)PHENYLACETYL]-PYRROLIDINE
Molecular Structure:
Molecular Structure of 73200-21-2 (1-[(ACETYLOXY)PHENYLACETYL]-PYRROLIDINE)
Formula: C14H17NO3
Molecular Weight: 247.29
Synonyms: Pyrrolidine,1-[(acetyloxy)phenylacetyl]- (9CI);1-[(Acetyloxy)phenylacetyl]-pyrrolidine;2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl acetate;
Density: 1.183 g/cm3
Boiling Point: 403.2 °C at 760 mmHg
Flash Point: 197.6 °C
PSA: 46.61000
LogP: 1.85110
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Specification

The Ethanone,2-(acetyloxy)-2-phenyl-1-(1-pyrrolidinyl)-, with the CAS registry number 73200-21-2, is also known as 1-[(Acetyloxy)phenylacetyl]-pyrrolidine. It belongs to the product category of API intermediates. This chemical's molecular formula is C14H17NO3 and molecular weight is 247.29. What's more, its systematic name is 2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl acetate. 

Physical properties of Ethanone,2-(acetyloxy)-2-phenyl-1-(1-pyrrolidinyl)- are: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 25.55; (6)ACD/BCF (pH 7.4): 25.55; (7)ACD/KOC (pH 5.5): 353.99; (8)ACD/KOC (pH 7.4): 353.99; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 66.74 cm3; (15)Molar Volume: 208.9 cm3; (16)Polarizability: 26.46×10-24 cm3; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.183 g/cm3; (19)Flash Point: 197.6 °C; (20)Enthalpy of Vaporization: 65.44 kJ/mol; (21)Boiling Point: 403.2 °C at 760 mmHg; (22)Vapour Pressure: 1.04E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4
(2)InChI: InChI=1S/C20H15N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(19)16-11-5-2-6-12-16/h1-14,21H
(3)InChIKey: GYGKJNGSQQORRG-UHFFFAOYSA-N