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| CAS No.: | 67259-62-5 |
|---|---|
| Name: | 4-(4-Methoxyphenyl)piperidine |
| Molecular Structure: | |
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| Formula: | C12H17NO |
| Molecular Weight: | 191.273 |
| Synonyms: | 4-(4-Methoxyphenyl)piperidine;TL80073558;4-(4-Methoxy-phenyl)-piperidine; |
| Density: | 1.003 g/cm3 |
| Boiling Point: | 303.575 °C at 760 mmHg |
| Flash Point: | 122.316 °C |
| PSA: | 21.26000 |
| LogP: | 2.49100 |
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Specification
The Piperidine, 4-(4-methoxyphenyl)-, with the CAS registry number 67259-62-5, is also known as 4-(4-Methoxy-phenyl)-piperidine. This chemical's molecular formula is C12H17NO and formula weight is 191.27. What's more, its IUPAC name is 4-(4-methoxyphenyl)piperidine.
Physical properties of Piperidine, 4-(4-methoxyphenyl)- are: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/KOC (pH 5.5): 1; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 21.26 Å2; (9)Index of Refraction: 1.515; (10)Molar Refractivity: 57.529 cm3; (11)Molar Volume: 190.674 cm3; (12)Surface Tension: 34.791 dyne/cm; (13)Density: 1.003 g/cm3; (14)Flash Point: 122.316 °C; (15)Enthalpy of Vaporization: 54.388 kJ/mol; (16)Boiling Point: 303.575 °C at 760 mmHg; (17)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC=C(C=C1)C2CCNCC2
(2)InChI: InChI=1S/C12H17NO/c1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-5,11,13H,6-9H2,1H3
(3)InChIKey: VCRQRAYQLAPLJH-UHFFFAOYSA-N