ChemSpider 2D Image | 4-{[3-(Methylsulfanyl)propyl]amino}-1-pentanol | C9H21NOS

4-{[3-(Methylsulfanyl)propyl]amino}-1-pentanol

  • Molecular FormulaC9H21NOS
  • Average mass191.334 Da
  • Monoisotopic mass191.134384 Da
  • ChemSpider ID32038633

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Pentanol, 4-[[3-(methylthio)propyl]amino]- [ACD/Index Name]
4-{[3-(Methylsulfanyl)propyl]amino}-1-pentanol [German] [ACD/IUPAC Name]
4-{[3-(Methylsulfanyl)propyl]amino}-1-pentanol [ACD/IUPAC Name]
4-{[3-(Méthylsulfanyl)propyl]amino}-1-pentanol [French] [ACD/IUPAC Name]
1529745-13-8 [RN]
4-{[3-(methylsulfanyl)propyl]amino}pentan-1-ol
MFCD23868381

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 303.2±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 63.0±6.0 kJ/mol
Flash Point: 137.1±23.7 °C
Index of Refraction: 1.487
Molar Refractivity: 56.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): -1.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 197.8±3.0 cm3

Click to predict properties on the Chemicalize site


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