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4-Benzylbenzenesulfonamide

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Name

4-Benzylbenzenesulfonamide

EINECS N/A
CAS No. 1145-60-4 Density 1.25 g/cm3
PSA 68.54000 LogP 3.70590
Solubility N/A Melting Point N/A
Formula C13H13NO2S Boiling Point 422.879 °C at 760 mmHg
Molecular Weight 247.31 Flash Point 209.55 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1145-60-4 (4-BENZYLBENZENESULFONAMIDE) Hazard Symbols N/A
Synonyms

p-Toluenesulfonamide,a-phenyl- (6CI,7CI,8CI);4-Benzylbenzenesulfonamide;

Article Data 1

4-Benzylbenzenesulfonamide Specification

The 4-Benzylbenzenesulfonamide with the CAS number 1145-60-4 is also called Benzenesulfonamide,4-(phenylmethyl)-. Its molecular formula is C13H13NO2S. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/LogD (pH 7.4): 2.31; (5)ACD/BCF (pH 5.5): 33.82; (6)ACD/BCF (pH 7.4): 33.76; (7)ACD/KOC (pH 5.5): 432.68; (8)ACD/KOC (pH 7.4): 431.97; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 68.54 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 68.52 cm3; (15)Molar Volume: 197.7 cm3; (16)Polarizability: 27.16×10-24cm3; (17)Surface Tension: 49.6 dyne/cm; (18)Enthalpy of Vaporization: 67.71 kJ/mol; (19)Vapour Pressure: 2.33×10-7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NS(=O)(=O)c2ccc(Cc1ccccc1)cc2
(2)InChI: InChI=1/C13H13NO2S/c14-17(15,16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,14,15,16)
(3)InChIKey: XIXRYMWTIKMPJU-UHFFFAOYAN

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