ChemSpider 2D Image | (2S,3S)-3-(Isopropylamino)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-butanol | C17H27NO2

(2S,3S)-3-(Isopropylamino)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-butanol

  • Molecular FormulaC17H27NO2
  • Average mass277.402 Da
  • Monoisotopic mass277.204193 Da
  • ChemSpider ID25058284
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2s,3s)-1-[(7-Methyl-2,3-Dihydro-1h-Inden-4-Yl)oxy]-3-[(1-Methylethyl)amino]butan-2-Ol
(2S,3S)-3-(Isopropylamino)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-butanol [ACD/IUPAC Name]
(2S,3S)-3-(Isopropylamino)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-butanol [German] [ACD/IUPAC Name]
(2S,3S)-3-(Isopropylamino)-1-[(7-méthyl-2,3-dihydro-1H-indén-4-yl)oxy]-2-butanol [French] [ACD/IUPAC Name]
2-Butanol, 1-[(2,3-dihydro-7-methyl-1H-inden-4-yl)oxy]-3-[(1-methylethyl)amino]-, (2S,3S)- [ACD/Index Name]
72795-26-7 [RN]
JRZ
rac-(2R,3R)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-[(propan-2-yl)amino]butan-2-ol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 439.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 219.5±28.7 °C
Index of Refraction: 1.536
Molar Refractivity: 82.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.89
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 7.41
ACD/KOC (pH 7.4): 44.18
Polar Surface Area: 41 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 265.3±3.0 cm3

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