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| CAS No.: | 141931-13-7 |
|---|---|
| Name: | 1-{[(R)-methylsulfinyl](pyrrolidin-1-yl)phosphoryl}piperidine |
| Molecular Structure: | |
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| Formula: | C10H21N2O2PS |
| Molecular Weight: | 264.329 |
| Synonyms: | Piperidine, 1-[(methylsulfinyl)-1-pyrrolidinylphosphinyl]-,(R*,R*)-(?à)-; |
| Density: | 1.28 g/cm3 |
| Boiling Point: | 403.519 °C at 760 mmHg |
| Flash Point: | 197.841 °C |
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Specification
This chemical is called Piperidine, 1-((methylsulfinyl)-1-pyrrolidinylphosphinyl)-, (R*,R*)-, and its systematic name is 264.32. With the molecular formula of C10H21N2O2PS, its molecular weight is 264.32. The CAS registry number of this chemical is 141931-13-7.
Other characteristics of the Piperidine, 1-((methylsulfinyl)-1-pyrrolidinylphosphinyl)-, (R*,R*)- can be summarised as followings: (1)ACD/LogP: -0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (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: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 69.64 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 67.64 cm3; (15)Molar Volume: 206.014 cm3; (16)Polarizability: 26.815×10-24cm3; (17)Surface Tension: 57.994 dyne/cm; (18)Density: 1.283 g/cm3; (19)Flash Point: 197.841 °C; (20)Enthalpy of Vaporization: 65.483 kJ/mol; (21)Boiling Point: 403.519 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=S(P(=O)(N1CCCC1)N2CCCCC2)C
2.InChI: InChI=1/C10H21N2O2PS/c1-16(14)15(13,12-9-5-6-10-12)11-7-3-2-4-8-11/h2-10H2,1H3/t15?,16-/m1/s1
3.InChIKey: PRAVZMAWLODVDE-OEMAIJDKBE