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tert-Butyl N-methanesulfonylcarbamate

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Name

tert-Butyl N-methanesulfonylcarbamate

EINECS N/A
CAS No. 147751-16-4 Density 1.213 g/cm3
PSA 80.85000 LogP 1.94240
Solubility N/A Melting Point 108-109 °C
Formula C6H13NO4S Boiling Point N/A
Molecular Weight 195.24 Flash Point N/A
Transport Information N/A Appearance White to off-white powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 147751-16-4 (Carbamic acid, (methylsulfonyl)-, 1,1-dimethylethyl ester (9CI)) Hazard Symbols N/A
Synonyms

Carbamicacid, (methylsulfonyl)-, 1,1-dimethylethyl ester (9CI);N-(Methylsulfonyl)carbamic acid tert-butyl ester;N-(t-Butoxycarbonyl)methanesulfonamide;N-Boc-methanesulfonamide;N-tert-Butoxycarbonylmethanesulfonamide;tert-Butyl methanesulfonylcarbamate;tert-Butyl methylsulfonylcarbamate;

Article Data 21

tert-Butyl N-methanesulfonylcarbamate Specification

The tert-Butyl N-methanesulfonylcarbamate, with the CAS registry number 147751-16-4, is also known as (Methylsulfonyl)carbamic acid 1,1-dimethylethyl ester. It belongs to the product category of N-BOC. This chemical's molecular formula is C6H13NO4S and molecular weight is 195.23672. Its systematic name is called tert-butyl (methylsulfonyl)carbamate.

Physical properties of tert-Butyl N-methanesulfonylcarbamate: (1)ACD/LogP: 0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 80.85 Å2; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 44.154 cm3; (15)Molar Volume: 160.955 cm3; (16)Surface Tension: 38.848 dyne/cm; (17)Density: 1.213 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(NC(=O)OC(C)(C)C)C
(2)InChI: InChI=1/C6H13NO4S/c1-6(2,3)11-5(8)7-12(4,9)10/h1-4H3,(H,7,8)
(3)InChIKey: GAIZFMKSOHADOV-UHFFFAOYAE

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