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1-Piperidinecarboxylicacid, 4-[[(4-methylphenyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester (118811-07-7)

Identification
Name:1-Piperidinecarboxylicacid, 4-[[(4-methylphenyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester
Synonyms:4-[(4-Tolylsulfonyl)oxy]piperidine-1-carboxylicacid tert-butyl ester;tert-Butyl 4-(Tosyloxy)piperidine-1-carboxylate;
CAS:118811-07-7
Molecular Formula: C17H25NO5S
Molecular Weight: 355.45
InChI: InChI=1/C17H25NO5S/c1-13-5-7-15(8-6-13)24(20,21)23-14-9-11-18(12-10-14)16(19)22-17(2,3)4/h5-8,14H,9-12H2,1-4H3
Molecular Structure: (C17H25NO5S) 4-[(4-Tolylsulfonyl)oxy]piperidine-1-carboxylicacid tert-butyl ester;tert-Butyl 4-(Tosyloxy)piperidi...
Properties
Density:1.23 g/cm3
Refractive index:1.553
Water Solubility:at 25 deg C (mg/L): 4.399 in water
Solubility:at 25 deg C (mg/L): 4.399 in water
Specification:

The 4-(Toluene-4-sulfonyloxy)piperidine-1-carboxylic acid tert-butyl ester is an organic compound with the formula C17H25NO5S. With the CAS registry number 118811-07-7, it is also named as 1-Piperidinecarboxylic acid, 4-[[(4-methylphenyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester and tert-Butyl 4-{[(4-methylphenyl)sulfonyl]oxy}piperidine-1-carboxylate.

Physical properties about this chemical are: (1)ACD/LogP: 2.85; (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): 58; (6)ACD/BCF (pH 7.4): 58; (7)ACD/KOC (pH 5.5): 640; (8)ACD/KOC (pH 7.4): 640; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.553; (13)Molar Refractivity: 91.923 cm3; (14)Molar Volume: 287.292 cm3; (15)Surface Tension: 48.766 dyne/cm; (16)Density: 1.237 g/cm3; (17)Flash Point: 241.242 °C; (18)Enthalpy of Vaporization: 73.877 kJ/mol; (19)Boiling Point: 475.282 °C at 760 mmHg.

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