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394655-15-3

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Basic Information
CAS No.: 394655-15-3
Name: 2,4-DIOXO-4-(4-PIPERIDIN-1-YLPHENYL)BUTANOIC ACID
Molecular Structure:
Molecular Structure of 394655-15-3 (2,4-DIOXO-4-(4-PIPERIDIN-1-YLPHENYL)BUTANOIC ACID)
Formula: C15H17NO4
Molecular Weight: 275.3
Synonyms: 2,4-dioxo-4-(4-piperidin-1-ylphenyl)butanoic acid;2,4-Dioxo-4-(4-piperidin-1-yl)phenylbutanoic acid;
Density: 1.38 g/cm3
Boiling Point: 491.6 °C at 760 mmHg
Flash Point: 251.1 °C
Hazard Symbols: IrritantXi
PSA: 74.68000
LogP: 1.96840
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    2,4-Dioxo-4-(4-piperidin-1-yl)phenylbutanoic acid

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    2,4-DIOXO-4-(4-PIPERIDIN-1-YL)PHENYLBUTANOIC ACIDAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The Benzenebutanoic acid, α,γ-dioxo-4-(1-piperidinyl)-, with the CAS registry number 394655-15-3, is also known as 2,4-Dioxo-4-(4-piperidin-1-yl)phenylbutanoic acid. This chemical's molecular formula is C15H17NO4 and molecular weight is 275.3. What's more, its systematic name is 2,4-dioxo-4-(4-piperidin-1-ylphenyl)butanoic acid.

Physical properties of Benzenebutanoic acid, α,γ-dioxo-4-(1-piperidinyl)- are: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.83; (4)ACD/LogD (pH 7.4): -2.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 63.68 Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 71.95 cm3; (15)Molar Volume: 217.9 cm3; (16)Polarizability: 28.52×10-24 cm3; (17)Surface Tension: 54.3 dyne/cm; (18)Density: 1.262 g/cm3; (19)Flash Point: 254.5 °C; (20)Enthalpy of Vaporization: 80.58 kJ/mol; (21)Boiling Point: 497.2 °C at 760 mmHg; (22)Vapour Pressure: 1.05E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(O)C(=O)CC(=O)c1ccc(cc1)N2CCCCC2
(2)InChI: InChI=1/C15H17NO4/c17-13(10-14(18)15(19)20)11-4-6-12(7-5-11)16-8-2-1-3-9-16/h4-7H,1-3,8-10H2,(H,19,20)
(3)InChIKey: MSACGCINQCCHBD-UHFFFAOYAX