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3-Amino-N-(tert-butyl)benzenesulfonamide

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Name

3-Amino-N-(tert-butyl)benzenesulfonamide

EINECS N/A
CAS No. 608523-94-0 Density 1.189 g/cm3
PSA 80.57000 LogP 3.39850
Solubility N/A Melting Point N/A
Formula C10H16N2O2S Boiling Point 387.3 °C at 760 mmHg
Molecular Weight 228.315 Flash Point 188 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 608523-94-0 (3-AMINO-N-(TERT-BUTYL)BENZENESULFONAMIDE) Hazard Symbols IrritantXi
Synonyms

3-Amino-N-tert-butylbenzenesulfonamide;

Article Data 4

3-Amino-N-(tert-butyl)benzenesulfonamide Specification

The 3-Amino-N-(tert-butyl)benzenesulfonamide with the cas number 608523-94-0 is also called Benzenesulfonamide,3-amino-N-(1,1-dimethylethyl)-. Its molecular formula is C10H16N2O2S. This chemical belongs to the following product categories: (1)Amines; (2)blocks; (3)Sulfonamides; (4)Amines and Anilines; (5)Boron, Nitrile, Thio,& TM-Cpds.

The properties of the chemical are: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.67; (4)ACD/LogD (pH 7.4): 0.67; (5)ACD/BCF (pH 5.5): 1.91; (6)ACD/BCF (pH 7.4): 1.92; (7)ACD/KOC (pH 5.5): 55.31; (8)ACD/KOC (pH 7.4): 55.46; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 61.36 cm3; (15)Molar Volume: 191.8 cm3; (16)Polarizability: 24.32×10-24cm3; (17)Surface Tension: 44.6 dyne/cm; (18)Enthalpy of Vaporization: 63.63 kJ/mol; (19)Vapour Pressure: 3.33×10-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cccc(N)c1)NC(C)(C)C
(2)InChI: InChI=1/C10H16N2O2S/c1-10(2,3)12-15(13,14)9-6-4-5-8(11)7-9/h4-7,12H,11H2,1-3H3
(3)InChIKey: KLQVFEHOLLUULE-UHFFFAOYAI

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