ChemSpider 2D Image | (2S)-2-(Dibenzylamino)-5-(1H-pyrrol-1-yl)-2-pentanol | C23H28N2O

(2S)-2-(Dibenzylamino)-5-(1H-pyrrol-1-yl)-2-pentanol

  • Molecular FormulaC23H28N2O
  • Average mass348.481 Da
  • Monoisotopic mass348.220154 Da
  • ChemSpider ID28600035
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-(Dibenzylamino)-5-(1H-pyrrol-1-yl)-2-pentanol [German] [ACD/IUPAC Name]
(2S)-2-(Dibenzylamino)-5-(1H-pyrrol-1-yl)-2-pentanol [ACD/IUPAC Name]
(2S)-2-(Dibenzylamino)-5-(1H-pyrrol-1-yl)-2-pentanol [French] [ACD/IUPAC Name]
1H-Pyrrole-1-butanol, α-[bis(phenylmethyl)amino]-α-methyl-, (αS)- [ACD/Index Name]
(2S)-2-(Dibenzylamino)-5-(1H-pyrrol-1-yl)pentan-2-ol
(2S)-2-(DIBENZYLAMINO)-5-(PYRROL-1-YL)PENTAN-2-OL
(S)-2-(Dibenzylamino)-5-(1H-pyrrol-1-yl)pentan-2-ol
288588-11-4 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 486.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 247.7±28.7 °C
Index of Refraction: 1.559
Molar Refractivity: 110.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 922.91
ACD/KOC (pH 5.5): 3445.45
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2521.39
ACD/KOC (pH 7.4): 9413.00
Polar Surface Area: 28 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 40.5±7.0 dyne/cm
Molar Volume: 340.6±7.0 cm3

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