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| CAS No.: | 3202-33-3 |
|---|---|
| Name: | 4-PHENOXYPIPERIDINE |
| Article Data: | 4 |
| Molecular Structure: | |
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|
|
| Formula: | C11H15NO |
| Molecular Weight: | 177.246 |
| Synonyms: | 4-Phenoxypiperidine;4-Phenoxy-piperidine; |
| Density: | 1.03 g/cm3 |
| Boiling Point: | 278.3 °C at 760 mmHg |
| Flash Point: | 110.1 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 21.26000 |
| LogP: | 2.14620 |
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Specification
The 4-Phenoxypiperidine, with the CAS registry number 3202-33-3, is also called 4-Phenoxy-piperidine. It belongs to the product categories of Amines; Blocks. And the molecular formula of the chemical is C11H15NO.
The characteristics of this chemical are as followings: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.96; (4)ACD/LogD (pH 7.4): -0.34; (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): 1.17; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 52.7 cm3; (15)Molar Volume: 171.9 cm3; (16)Polarizability: 20.89×10-24cm3; (17)Surface Tension: 37 dyne/cm; (18)Density: 1.03 g/cm3; (19)Flash Point: 110.1 °C; (20)Enthalpy of Vaporization: 51.69 kJ/mol; (21)Boiling Point: 278.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0043 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(c1ccccc1)C2CCNCC2
(2)InChI: InChI=1/C11H15NO/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
(3)InChIKey: KBYPITRKIJKGMD-UHFFFAOYAL