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Benzenesulfonamide,3-amino-4-hydroxy-N-(1-methylethyl)-

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  • Name Benzenesulfonamide,3-amino-4-hydroxy-N-(1-methylethyl)-
  • EINECS201-257-3
  • CAS No. 80-19-3
  • Density1.322 g/cm3
  • PSA100.80000
  • LogP2.71400
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC9H14N2O3S
  • Boiling Point411.7 °C at 760 mmHg
  • Molecular Weight230.28406
  • Flash Point202.8 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 80-19-3 (3-amino-4-hydroxy-N-(1-methylethyl)benzenesulphonamide)
  • Hazard SymbolsN/A
  • SynonymsN/A

Benzenesulfonamide,3-amino-4-hydroxy-N-(1-methylethyl)- Specification

The CAS register number of Benzenesulfonamide,3-amino-4-hydroxy-N-(1-methylethyl)- is 80-19-3. It also can be called as Benzenesulfonamide, 3-amino-4-hydroxy-N-isopropyl- and the IUPAC name about this chemical is 3-amino-4-hydroxy-N-propan-2-ylbenzenesulfonamide. The molecular formula about this chemical is C9H14N2O3S and molecular weight is 230.28406.

Physical properties about Benzenesulfonamide,3-amino-4-hydroxy-N-(1-methylethyl)- are: (1)ACD/LogP: 0.30; (2)ACD/LogD (pH 5.5): 0.3; (3)ACD/LogD (pH 7.4): 0.2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 34.33; (7)ACD/KOC (pH 7.4): 27.81; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 58.23Å2; (12)Index of Refraction: 1.583; (13)Molar Refractivity: 58.23 cm3; (14)Molar Volume: 174.1 cm3; (15)Polarizability: 23.08x10-24cm3; (16)Surface Tension: 54.3 dyne/cm; (17)Enthalpy of Vaporization: 69.01 kJ/mol; (18)Boiling Point: 411.7 °C at 760 mmHg; (19)Vapour Pressure: 2.29E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(O)c(N)c1)NC(C)C
(2)InChI: InChI=1/C9H14N2O3S/c1-6(2)11-15(13,14)7-3-4-9(12)8(10)5-7/h3-6,11-12H,10H2,1-2H3
(3)InChIKey: FTKHOHJWUYHTPW-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H14N2O3S/c1-6(2)11-15(13,14)7-3-4-9(12)8(10)5-7/h3-6,11-12H,10H2,1-2H3
(5)Std. InChIKey: FTKHOHJWUYHTPW-UHFFFAOYSA-N

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