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| CAS No.: | 22184-99-2 |
|---|---|
| Name: | 3-(PIPERIDINOSULFONYL)ANILINE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C11H16N2O2S |
| Molecular Weight: | 240.326 |
| Synonyms: | TIMTEC-BB SBB000802;1-[(3-AMINOPHENYL)SULFONYL]PIPERIDINE;AKOS BBS-00006971;3-(PIPERIDINE-1-SULFONYL)-PHENYLAMINE;3-(PIPERIDINOSULPHONYL)ANILINE;3-(PIPERIDINOSULFONYL)ANILINE;3-(PIPERIDIN-1-YLSULFONYL)ANILINE;BUTTPARK 99\57-93 |
| Density: | 1.284g/cm3 |
| Melting Point: | 117 °C |
| Boiling Point: | 432.6 °C at 760 mmHg |
| Flash Point: | 215.4 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 71.78000 |
| LogP: | 3.04330 |
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- Total:23 Page 1 of 1 1
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Specification
The 3-(1-piperidylsulfonyl)aniline, with CAS registry number 22184-99-2, belongs to the following product categories: (1)Amines; (2)Blocks; (3)Sulfonamides. It has the systematic name of 3-(piperidin-1-ylsulfonyl)aniline. And the chemical formula of this chemical is C11H16N2O2S.
Physical properties of 3-(1-piperidylsulfonyl)aniline: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/LogD (pH 7.4): 0.83; (5)ACD/BCF (pH 5.5): 2.49; (6)ACD/BCF (pH 7.4): 2.5; (7)ACD/KOC (pH 5.5): 66.65; (8)ACD/KOC (pH 7.4): 67.14; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49 Å2; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 64.18 cm3; (15)Molar Volume: 187 cm3; (16)Polarizability: 25.44×10-24cm3; (17)Surface Tension: 54.5 dyne/cm; (18)Density: 1.284 g/cm3; (19)Flash Point: 215.4 °C; (20)Enthalpy of Vaporization: 68.84 kJ/mol; (21)Boiling Point: 432.6 °C at 760 mmHg; (22)Vapour Pressure: 1.1E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cccc(N)c1)N2CCCCC2
(2)InChI: InChI=1/C11H16N2O2S/c12-10-5-4-6-11(9-10)16(14,15)13-7-2-1-3-8-13/h4-6,9H,1-3,7-8,12H2
(3)InChIKey: AHQOQYXOKZRRPJ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C11H16N2O2S/c12-10-5-4-6-11(9-10)16(14,15)13-7-2-1-3-8-13/h4-6,9H,1-3,7-8,12H2
(5)Std. InChIKey: AHQOQYXOKZRRPJ-UHFFFAOYSA-N