CAS No.161975-39-9,1-BOC-4-METHANESULFONYLOXYMETHYL-PIPERIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	161975-39-9
Name:	1-BOC-4-METHANESULFONYLOXYMETHYL-PIPERIDINE
Article Data:	101

Formula:	C₁₂H₂₃NO₅S
Molecular Weight:	293.384
Synonyms:	4-[[(Methylsulfonyl)oxy]methyl]piperidine-1-carboxylicacid tert-butyl ester;tert-Butyl4-methylsulfonyloxymethyl-1-piperidinecarboxylate;(1-(tert-Butoxycarbonyl)piperidin-4-yl)methylmethanesulfonate;1,1-Dimethylethyl4-[[(methylsulfonyl)oxy]methyl]piperidine-1-carboxylate;1-(tert-Butoxycarbonyl)-4-[[(methylsulfonyl)oxy]methyl]piperidine;1-Boc-4-methylsulfonyloxymethylpiperidine;4-(Methanesulfonyloxymethyl)-1-piperidine-1-carboxylic acid tert-butyl ester;4-[[(Methanesulfonyl)oxy]methyl]piperidine-1-carboxylicacid tert-butyl ester;
Density:	1.175g/cm³
Melting Point:	73-76°C
Boiling Point:	418.8 °C at 760 mmHg
Flash Point:	207.1 °C
PSA:	81.29000
LogP:	2.62840

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Specification

The 1-Piperidinecarboxylicacid, 4-[[(methylsulfonyl)oxy]methyl]-, 1,1-dimethylethyl ester, with CAS registry number 161975-39-9, has the systematic name of tert-butyl 4-{[(methylsulfonyl)oxy]methyl}piperidine-1-carboxylate. And the chemical formula of this chemical is C₁₂H₂₃NO₅S.

Physical properties of 1-Piperidinecarboxylicacid, 4-[[(methylsulfonyl)oxy]methyl]-, 1,1-dimethylethyl ester: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 3.61; (6)ACD/BCF (pH 7.4): 3.61; (7)ACD/KOC (pH 5.5): 87.32; (8)ACD/KOC (pH 7.4): 87.32; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 81.29 Å²; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 71.84 cm³; (15)Molar Volume: 249.6 cm³; (16)Polarizability: 28.48×10^-24cm³; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.175 g/cm³; (19)Flash Point: 207.1 °C; (20)Enthalpy of Vaporization: 67.24 kJ/mol; (21)Boiling Point: 418.8 °C at 760 mmHg; (22)Vapour Pressure: 3.2E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(OCC1CCN(C(=O)OC(C)(C)C)CC1)C
(2)InChI: InChI=1/C12H23NO5S/c1-12(2,3)18-11(14)13-7-5-10(6-8-13)9-17-19(4,15)16/h10H,5-9H2,1-4H3
(3)InChIKey: RXNQBVRCZIYUJK-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C12H23NO5S/c1-12(2,3)18-11(14)13-7-5-10(6-8-13)9-17-19(4,15)16/h10H,5-9H2,1-4H3
(5)Std. InChIKey: RXNQBVRCZIYUJK-UHFFFAOYSA-N