ChemSpider 2D Image | (3R)-3-{[(3-Chloro-2-thienyl)methyl]amino}-1-butanol | C9H14ClNOS

(3R)-3-{[(3-Chloro-2-thienyl)methyl]amino}-1-butanol

  • Molecular FormulaC9H14ClNOS
  • Average mass219.732 Da
  • Monoisotopic mass219.048462 Da
  • ChemSpider ID35199828

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-{[(3-Chlor-2-thienyl)methyl]amino}-1-butanol [German] [ACD/IUPAC Name]
(3R)-3-{[(3-Chloro-2-thienyl)methyl]amino}-1-butanol [ACD/IUPAC Name]
(3R)-3-{[(3-Chloro-2-thiényl)méthyl]amino}-1-butanol [French] [ACD/IUPAC Name]
1-Butanol, 3-[[(3-chloro-2-thienyl)methyl]amino]-, (3R)- [ACD/Index Name]
(3R)-3-{[(3-CHLOROTHIOPHEN-2-YL)METHYL]AMINO}BUTAN-1-OL

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 330.8±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.5±3.0 kJ/mol
Flash Point: 153.9±26.5 °C
Index of Refraction: 1.559
Molar Refractivity: 58.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): -0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 2.56
ACD/KOC (pH 7.4): 44.31
Polar Surface Area: 61 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 179.9±3.0 cm3

Click to predict properties on the Chemicalize site


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