Chemical Properties of Benzenesulfonamide, 3-amino-N-butyl-4-methoxy- (CAS 80-22-8)

Benzenesulfonamide, 3-amino-N-butyl-4-methoxy-

InChI
InChI=1S/C11H18N2O3S/c1-3-4-7-13-17(14,15)9-5-6-11(16-2)10(12)8-9/h5-6,8,13H,3-4,7,12H2,1-2H3
InChI Key
XOIMPHNXVTYJAB-UHFFFAOYSA-N
Formula
C11H18N2O3S
SMILES
CCCCNS(=O)(=O)c1ccc(OC)c(N)c1
Molecular Weight1
258.34
CAS
80-22-8
Other Names
  • 3-amino-N-butyl-4-methoxybenzenesulphonamide
  • Azoene Fast Red PDC Base
  • C.I. 37151
  • C.I. Azoic Diazo Component 14
  • Fast Ponceau L Base
  • Fast Red Base SW
  • Fast Red PDC Base
  • Fast Red Ponceau L base
  • Fast Red SW Base
  • Fast Red SW Special Base
  • Hiltonil Fast Red PDC Base
  • Metanilamide, N1-butyl-4-methoxy-
  • N'-Butyl-4-methoxymetanilamide
  • N'-n-Butyl-3-amino-4-methoxybenzenesulfonamide
  • N1-Butyl-4-methoxymetanilamide
  • NSC 50673
  • Red PDC Base
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Physical Properties

Property Value Unit Source
ΔfusH° 40.37 kJ/mol Joback Calculated Property
log10WS -2.56 Relay (1.0) Calculated Property
logPoct/wat 1.356 Crippen Calculated Property
McVol 196.010 ml/mol McGowan Calculated Property
Tboil 652.87 K Relay (1.0) Calculated Property
Tfus 392.88 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [284.65; 622.81] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A5.16030e+01
Coefficient B9.59430e-01
Coefficient C-3.87120e-04
Coefficient D-1.10000e-09
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 284.65 J/mol×K 273.00 Calculated Property
Cp,gas 342.53 J/mol×K 353.78 Calculated Property
Cp,gas 395.34 J/mol×K 434.56 Calculated Property
Cp,gas 443.07 J/mol×K 515.33 Calculated Property
Cp,gas 485.73 J/mol×K 596.11 Calculated Property
Cp,gas 523.32 J/mol×K 676.89 Calculated Property
Cp,gas 555.82 J/mol×K 757.67 Calculated Property
Cp,gas 583.24 J/mol×K 838.44 Calculated Property
Cp,gas 605.57 J/mol×K 919.22 Calculated Property
Cp,gas 622.81 J/mol×K 1000.00 Calculated Property

Similar Compounds

vasicinone. 12-O-Methylcarnosol. Morazone. 11H-Pyrido[2,1-b]quinazolin-11-one, 1,2,3,4,6,7,8,9-octahydro, 9-methyl. Hydroxy-N-methylcytisine. Nalbuphine, O,O,O-tris(trimethylsilyl) deriv.. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. 5'-S-Methyl-5'-thioadenosine, O,O'-bis(trifluoroacetyl)-. risperidone. Oxycodone tms derivative. Oxymorphone, bis(trimethylsilyl) ether. Oxymorphone. Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-, (5«alpha»)-. Naloxone. Naloxone, bis(trimethylsilyl) ether.

Find more compounds similar to Benzenesulfonamide, 3-amino-N-butyl-4-methoxy-.

Sources

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