ChemSpider 2D Image | (S)-D-617 | C17H26N2O2

(S)-D-617

  • Molecular FormulaC17H26N2O2
  • Average mass290.401 Da
  • Monoisotopic mass290.199432 Da
  • ChemSpider ID32697708

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-(methylamino)pentanenitrile [ACD/IUPAC Name]
(2S)-2-(3,4-Diméthoxyphényl)-2-isopropyl-5-(méthylamino)pentanenitrile [French] [ACD/IUPAC Name]
(2S)-2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-(methylamino)pentannitril [German] [ACD/IUPAC Name]
(S)-D-617
Benzeneacetonitrile, 3,4-dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)-, (αS)- [ACD/Index Name]
251-895-1 [EINECS]
34245-14-2 [RN]
36661-65-1 [RN]
D-617
D-617, (S)-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 429.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 213.3±28.7 °C
Index of Refraction: 1.497
Molar Refractivity: 84.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.36
Polar Surface Area: 54 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 289.2±3.0 cm3

Click to predict properties on the Chemicalize site


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