ChemSpider 2D Image | 2-(Tetrahydro-2H-thiopyran-3-ylamino)-1-butanol | C9H19NOS

2-(Tetrahydro-2H-thiopyran-3-ylamino)-1-butanol

  • Molecular FormulaC9H19NOS
  • Average mass189.318 Da
  • Monoisotopic mass189.118729 Da
  • ChemSpider ID27984017

More details:

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

1-Butanol, 2-[(tetrahydro-2H-thiopyran-3-yl)amino]- [ACD/Index Name]
2-(Tetrahydro-2H-thiopyran-3-ylamino)-1-butanol [German] [ACD/IUPAC Name]
2-(Tetrahydro-2H-thiopyran-3-ylamino)-1-butanol [ACD/IUPAC Name]
2-(Tétrahydro-2H-thiopyrane-3-ylamino)-1-butanol [French] [ACD/IUPAC Name]
1310115-94-6 [RN]
2-((tetrahydro-2H-thiopyran-3-yl)amino)butan-1-ol
2-[(thian-3-yl)amino]butan-1-ol
MFCD17238330

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

Density: 1.1±0.1 g/cm3
Boiling Point: 338.6±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.4±6.0 kJ/mol
Flash Point: 158.6±25.1 °C
Index of Refraction: 1.523
Molar Refractivity: 54.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): -1.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.83
Polar Surface Area: 58 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 179.4±5.0 cm3

Click to predict properties on the Chemicalize site


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