Benzenebutanoic acid, α,γ-dioxo-4-(1-piperidinyl)- supplier

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

Benzenebutanoic acid, α,γ-dioxo-4-(1-piperidinyl)- 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

Product Name

2,4-DIOXO-4-(4-PIPERIDIN-1-YLPHENYL)BUTANOIC ACID

Benzenebutanoic acid, α,γ-dioxo-4-(1-piperidinyl)- Specification

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