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(R)-1-Boc-3-methanesulfonyloxypyrrolidine

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Name

(R)-1-Boc-3-methanesulfonyloxypyrrolidine

EINECS N/A
CAS No. 141699-57-2 Density 1.25 g/cm3
PSA 81.29000 LogP 1.99070
Solubility N/A Melting Point N/A
Formula C10H19NO5S Boiling Point 392.882 °C at 760 mmHg
Molecular Weight 265.331 Flash Point 191.408 °C
Transport Information N/A Appearance N/A
Safety 45 Risk Codes  Xi:;
Molecular Structure Molecular Structure of 141699-57-2 (1-BOC-3-METHANESULFONYLOXYPYRROLIDINE) Hazard Symbols IrritantXi
Synonyms

1-(tert-Butoxycarbonyl)pyrrolidin-3-ylmethanesulfonate;3-(Methylsulfonyloxy)pyrrolidine-1-carboxylic acid tert-butylester;N-(tert-Butoxycarbonyl)-3-hydroxypyrrolidine methanesulphonate;tert-Butyl 3-[(methylsulfonyl)oxy]pyrrolidine-1-carboxylate;

Article Data 42

(R)-1-Boc-3-methanesulfonyloxypyrrolidine Specification

This chemical is called 1-Pyrrolidinecarboxylic acid, 3-[(methylsulfonyl)oxy]-, 1,1-dimethylethyl ester, and its systematic name is tert-butyl 3-[(methylsulfonyl)oxy]pyrrolidine-1-carboxylate. With the molecular formula of C10H19NO5S, its molecular weight is 265.33. The CAS registry number of this chemical is 141699-57-2.

Other characteristics of the 1-Pyrrolidinecarboxylic acid, 3-[(methylsulfonyl)oxy]-, 1,1-dimethylethyl ester can be summarised as followings: (1)ACD/LogP: 0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.08; (4)ACD/LogD (pH 7.4): 0.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.23; (8)ACD/KOC (pH 7.4): 26.23; (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: 1.501; (14)Molar Refractivity: 62.58 cm3; (15)Molar Volume: 212.1 cm3; (16)Polarizability: 24.81×10-24cm3; (17)Surface Tension: 44.1 dyne/cm; (18)Density: 1.25 g/cm3; (19)Flash Point: 191.4 °C; (20)Enthalpy of Vaporization: 64.27 kJ/mol; (21)Boiling Point: 392.9 °C at 760 mmHg; (22)Vapour Pressure: 2.22E-06 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)C1)C
2.InChI: InChI=1/C10H19NO5S/c1-10(2,3)15-9(12)11-6-5-8(7-11)16-17(4,13)14/h8H,5-7H2,1-4H3
3.InChIKey: KWQRKOSMSFLBTJ-UHFFFAOYAL

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