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CAS No.: | 766508-67-2 |
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Name: | 4-(3'-Carboxyphenyl)piperidine |
Molecular Structure: | |
Formula: | C12H15NO2 |
Molecular Weight: | 205.257 |
Synonyms: | 3-(4-Piperidinyl)benzoicacid; |
Density: | 1.145 g/cm3 |
Boiling Point: | 377.5 °C at 760 mmHg |
Flash Point: | 182.1 °C |
PSA: | 49.33000 |
LogP: | 2.18060 |
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The 4-(3'-Carboxyphenyl)piperidine, with the CAS registry number 766508-67-2, is also known as 3-(Piperidin-4-yl)benzoic acid. This chemical's molecular formula is C12H15NO2 and molecular weight is 205.253. What's more, its systematic name is called 3-(4-Piperidyl)benzoic acid.
Physical properties about 4-(3'-Carboxyphenyl)piperidine are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 49.33 Å2; (7)Index of Refraction: 1.558; (8)Molar Refractivity: 57.78 cm3; (9)Molar Volume: 179.2 cm3; (10)Surface Tension: 46.7 dyne/cm; (11)Density: 1.145 g/cm3; (12)Flash Point: 182.1 °C; (13)Enthalpy of Vaporization: 65.96 kJ/mol; (14)Boiling Point: 377.5 °C at 760 mmHg; (15)Vapour Pressure: 2.26E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c1cc(ccc1)C2CCNCC2
(2) InChI: InChI=1/C12H15NO2/c14-12(15)11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-3,8-9,13H,4-7H2,(H,14,15)
(3) InChIKey: ICCKWGCLHGIEQE-UHFFFAOYAR