Basic Information | Post buying leads | Suppliers |
Name |
4-[(4-Methylphenyl)sulfonyl]piperidine hydrochloride |
EINECS | N/A |
CAS No. | 676527-73-4 | Density | 1.161g/cm3 |
PSA | 54.55000 | LogP | 3.73230 |
Solubility | N/A | Melting Point |
230℃(dec.) |
Formula | C12H17NO2S.HCl | Boiling Point | 417 °C at 760 mmHg |
Molecular Weight | 275.79 | Flash Point | 206 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-tosylpiperidine hydrochloride;Piperidine, 4-[(4-Methylphenyl)sulfonyl]-, hydrochloride;4-(Toluene-4-sulphonyl)piperidine hydrochloride;4-[(4-Methylphenyl)sulphonyl]piperidine hydrochloride, 4-(p-Tolylsulphonyl)piperidine hydrochloride |
The 4-[(4-Methylphenyl)sulfonyl]piperidine hydrochloride, with the CAS registry number 676527-73-4, is also called Piperidine, 4-[(4-methylphenyl)sulfonyl]-, hydrochloride (1:1). It should be stored at dry and cool environment. And the molecular formula of the chemical is C12H17NO2S.HCl.
The characteristics of 4-[(4-Methylphenyl)sulfonyl]piperidine hydrochloride are as followings: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.73; (4)ACD/LogD (pH 7.4): -0.75; (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): 1.05; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.76 Å2 ; (13)Flash Point: 206 °C; (14)Enthalpy of Vaporization: 67.04 kJ/mol; (15)Boiling Point: 417 °C at 760 mmHg; (16)Vapour Pressure: 3.65E-07 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C)C2CCNCC2.Cl
(2)InChI: InChI=1/C12H17NO2S.ClH/c1-10-2-4-11(5-3-10)16(14,15)12-6-8-13-9-7-12;/h2-5,12-13H,6-9H2,1H3;1H
(3)InChIKey: HGXSRSRLEBTQIH-UHFFFAOYAJ