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80-19-3

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Basic Information
CAS No.: 80-19-3
Name: 3-amino-4-hydroxy-N-(1-methylethyl)benzenesulphonamide
Molecular Structure:
Molecular Structure of 80-19-3 (3-amino-4-hydroxy-N-(1-methylethyl)benzenesulphonamide)
Formula: C9H14N2O3S
Molecular Weight: 230.28406
Synonyms: Metanilamide,4-hydroxy-N1-isopropyl- (8CI);Benzenesulfonamide, 3-amino-4-hydroxy-N-isopropyl-;
EINECS: 201-257-3
Density: 1.322 g/cm3
Boiling Point: 411.7 °C at 760 mmHg
Flash Point: 202.8 °C
PSA: 100.80000
LogP: 2.71400
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    PRODUCT CODE P058 NAME 2 Amino phenol 4 Sulf Isopropylamide CAS NO 80-19-3 FORMULA C9H14 N2O3S MOL.WT. 230.3 STRUCTURE FORM Off White Moi…

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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