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5449-34-3

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Basic Information
CAS No.: 5449-34-3
Name: (1-ethyl-4-hydroxypiperidin-4-yl)(phenyl)acetic acid
Molecular Structure:
Molecular Structure of 5449-34-3 ((1-ethyl-4-hydroxypiperidin-4-yl)(phenyl)acetic acid)
Formula: C15H21NO3
Molecular Weight: 263.337
Synonyms: 2-(1-Ethyl-4-hydroxy-4-piperidyl)-2-phenyl-acetic acid;NSC16311;
Density: 1.193 g/cm3
Boiling Point: 437 °C at 760 mmHg
Flash Point: 218.1 °C
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    (1-Ethyl-4-hydroxy-4-piperidinyl)(phenyl)acetic acid 2- (1-ethyl-4-hydroxypiperidin-4-yl) -2-phenylacetic acid CAS Number: 5449-34-3 Molecular formula: C15H21NO3 Molecular weight: 263.33200 Exact quality: 263.15200 PSA: 60.77000 L

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Specification

The (1-Ethyl-4-hydroxy-4-piperidinyl)(phenyl)acetic acid, with the CAS registry number 5449-34-3, is also known as NSC16311. This chemical's molecular formula is C15H21NO3 and molecular weight is 263.33. What's more, its systematic name is also (1-Ethyl-4-hydroxypiperidin-4-yl)(phenyl)acetic acid. 

Physical properties of (1-Ethyl-4-hydroxy-4-piperidinyl)(phenyl)acetic acid are: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 38.77 Å2; (11)Index of Refraction: 1.573; (12)Molar Refractivity: 72.81 cm3; (13)Molar Volume: 220.6 cm3; (14)Polarizability: 28.86×10-24 cm3; (15)Surface Tension: 52.6 dyne/cm; (16)Density: 1.193 g/cm3; (17)Flash Point: 218.1 °C; (18)Enthalpy of Vaporization: 73.1 kJ/mol; (19)Boiling Point: 437 °C at 760 mmHg; (20)Vapour Pressure: 2.08E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCN1CCC(CC1)(C(C2=CC=CC=C2)C(=O)O)O
(2)InChI: InChI=1S/C15H21NO3/c1-2-16-10-8-15(19,9-11-16)13(14(17)18)12-6-4-3-5-7-12/h3-7,13,19H,2,8-11H2,1H3,(H,17,18)
(3)InChIKey: GSYPREKFRGJLNT-UHFFFAOYSA-N