1-Boc-4-methanesulfonyloxypiperidine supplier

Name
1-Boc-4-methanesulfonyloxypiperidine
EINECS 619-988-5
CAS No. 141699-59-4
Article Data1
CAS DataBase
Density 1.223 g/cm³
Solubility
Melting Point 193-195 °C
Formula C₁₁H₂₁NO₅S
Boiling Point 407.186 °C at 760 mmHg
Molecular Weight 279.357
Flash Point 200.059 °C
Transport Information
Appearance
Safety 45-24/25-23
Risk Codes 25-20/21/22
Molecular Structure
Hazard Symbols T
Synonyms tert-Butyl 4-(methanesulfonyloxy)piperidine-1-carboxylate;1-(tert-Butoxycarbonyl)-4-piperidinyl methanesulfonate;1-(tert-Butoxycarbonyl)-4-methanesulfonyloxypiperidine;4-[(Methylsulfonyl)oxy]piperidine-1-carboxylic acid tert-butyl ester;
PSA 81.29000
LogP 2.38080

1-Boc-4-methanesulfonyloxypiperidine Specification

The 1-Boc-4-methanesulfonyloxypiperidine, with the CAS registry number 141699-59-4, is also known as 4-[(Methylsulfonyl)oxy]piperidine-1-carboxylic acid tert-butyl ester. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₁H₂₁NO₅S and molecular weight is 279.35. What's more, its systematic name is 2-Methyl-2-propanyl 4-[(methylsulfonyl)oxy]-1-piperidinecarboxylate.

Physical properties of 1-Boc-4-methanesulfonyloxypiperidine are: (1)ACD/LogP: 0.763; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76; (4)ACD/LogD (pH 7.4): 0.76; (5)ACD/BCF (pH 5.5): 2.24; (6)ACD/BCF (pH 7.4): 2.24; (7)ACD/KOC (pH 5.5): 61.96; (8)ACD/KOC (pH 7.4): 61.96; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 81.29 Å²; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 67.217 cm³; (15)Molar Volume: 228.488 cm³; (16)Polarizability: 26.647×10^-24cm³; (17)Surface Tension: 43.6030006408691 dyne/cm; (18)Density: 1.223 g/cm³; (19)Flash Point: 200.059 °C; (20)Enthalpy of Vaporization: 65.903 kJ/mol; (21)Boiling Point: 407.186 °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(=O)(OC1CCN(C(=O)OC(C)(C)C)CC1)C
(2)Std. InChI: InChI=1S/C11H21NO5S/c1-11(2,3)16-10(13)12-7-5-9(6-8-12)17-18(4,14)15/h9H,5-8H2,1-4H3
(3)Std. InChIKey: WOEQSXAIPTXOPY-UHFFFAOYSA-N

Product Name

1-Boc-4-methanesulfonyloxypiperidine

1-Boc-4-methanesulfonyloxypiperidine Specification

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