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Name |
Ethanone,2-(acetyloxy)-2-phenyl-1-(1-pyrrolidinyl)- |
EINECS | N/A |
CAS No. | 73200-21-2 | Density | 1.183 g/cm3 |
PSA | 46.61000 | LogP | 1.85110 |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H17NO3 | Boiling Point | 403.2 °C at 760 mmHg |
Molecular Weight | 247.29 | Flash Point | 197.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pyrrolidine,1-[(acetyloxy)phenylacetyl]- (9CI);1-[(Acetyloxy)phenylacetyl]-pyrrolidine;2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl acetate; |
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