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CAS No.: | 59349-71-2 |
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Name: | (S)-3-Phenylpiperidine |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C11H15N |
Molecular Weight: | 161.247 |
Synonyms: | Piperidine,3-phenyl-, (S)-;(S)-3-Phenylpiperidine; |
EINECS: | 261-713-2 |
Density: | 0.967 g/cm3 |
Boiling Point: | 263.2 °C at 760 mmHg |
Flash Point: | 115.5 °C |
PSA: | 12.03000 |
LogP: | 2.48240 |
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This chemical is called Piperidine, 3-phenyl-,(3S)-, and it can also be named as (3S)-3-phenylpiperidine. With the molecular formula of C11H15N, its molecular weight is 161.24. The CAS registry number of this chemical is 59349-71-2.
Other characteristics of the Piperidine, 3-phenyl-,(3S)- can be summarised as followings: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.55; (4)ACD/LogD (pH 7.4): -0.37; (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; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 50.85 cm3; (15)Molar Volume: 166.6 cm3; (16)Polarizability: 20.15×10-24cm3; (17)Surface Tension: 35.3 dyne/cm; (18)Density: 0.967 g/cm3; (19)Flash Point: 115.5 °C; (20)Enthalpy of Vaporization: 50.1 kJ/mol; (21)Boiling Point: 263.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0104 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1cc(ccc1)[C@H]2CNCCC2
2.InChI: InChI=1/C11H15N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-3,5-6,11-12H,4,7-9H2/t11-/m1/s1
3.InChIKey: NZYBILDYPCVNMU-LLVKDONJBE