| Identification | |
| Name: | Piperidine,1-(3-nitrophenyl)- |
| Synonyms: | Piperidine,1-(m-nitrophenyl)- (8CI);1-(3-Nitrophenyl)piperidine;1-(m-Nitrophenyl)piperidine;3-Nitro-1-piperidinobenzene; |
| CAS: | 27969-73-9 |
| Molecular Formula: | C11H14N2O2 |
| Molecular Weight: | 206.24 |
| InChI: | InChI=1/C11H14N2O2/c14-13(15)11-6-4-5-10(9-11)12-7-2-1-3-8-12/h4-6,9H,1-3,7-8H2 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.188 |
| Refractive index: | 1.578 |
| Specification: |
The 1-(3-Nitrophenyl)piperidine, with the cas registry number 27969-73-9, is also called 3-nitro-1-piperidinobenzene. And its molecular fomula is C11H14N2O2. The characteristics of this chemical are as followings: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 221; (6)ACD/BCF (pH 7.4): 222; (7)ACD/KOC (pH 5.5): 1656; (8)ACD/KOC (pH 7.4): 1664; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.06 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 57.615 cm3; (15)Molar Volume: 173.543 cm3; (16)Polarizability: 22.84×10-24cm3; (17)Surface Tension: 48.449 dyne/cm; (18)Density: 1.188 g/cm3; (19)Flash Point: 162.325 °C; (20)Enthalpy of Vaporization: 58.879 kJ/mol; (21)Boiling Point: 344.792 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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