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| CAS No.: | 196204-01-0 |
|---|---|
| Name: | 4-Piperidin-4-yl-benzoic acid |
| Molecular Structure: | |
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| Formula: | C12H15NO2 |
| Molecular Weight: | 205.257 |
| Synonyms: | 4-(Piperidin-4-yl)benzoicacid; |
| Density: | 1.145 g/cm3 |
| Boiling Point: | 372.142 °C at 760 mmHg |
| Flash Point: | 178.865 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 36 |
| Safety: | 26 |
| PSA: | 49.33000 |
| LogP: | 2.18060 |
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- Total:27 Page 1 of 1 1
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Specification
The Benzoic acid,4-(4-piperidinyl)-, with the CAS registry number 196204-01-0, is also known as 4-(4-Piperidyl)benzoic acid. It belongs to the product categories of Pyridines, Pyrimidines, Purines and Pteredines; Pharmacetical. This chemical's molecular formula is C12H15NO2 and molecular weight is 205.25. Its systematic name is called 4-(piperidin-4-yl)benzoic acid.
Physical properties of Benzoic acid,4-(4-piperidinyl)-: (1)ACD/LogP: 2.07; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.558; (10)Molar Refractivity: 57.78 cm3; (11)Molar Volume: 179.2 cm3; (12)Surface Tension: 46.7 dyne/cm; (13)Density: 1.145 g/cm3; (14)Flash Point: 178.9 °C; (15)Enthalpy of Vaporization: 65.33 kJ/mol; (16)Boiling Point: 372.1 °C at 760 mmHg; (17)Vapour Pressure: 3.38E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1ccc(cc1)C2CCNCC2
(2)InChI: InChI=1/C12H15NO2/c14-12(15)11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2,(H,14,15)
(3)InChIKey: XDCLOVOOEKUJBK-UHFFFAOYAR