ChemSpider 2D Image | (3S)-3,7-Dimethyl-1,6-octadien-3-yl 2-aminobenzoate | C17H23NO2

(3S)-3,7-Dimethyl-1,6-octadien-3-yl 2-aminobenzoate

  • Molecular FormulaC17H23NO2
  • Average mass273.370 Da
  • Monoisotopic mass273.172882 Da
  • ChemSpider ID34990595

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3,7-Dimethyl-1,6-octadien-3-yl 2-aminobenzoate [ACD/IUPAC Name]
(3S)-3,7-Dimethyl-1,6-octadien-3-yl-2-aminobenzoat [German] [ACD/IUPAC Name]
1,6-Octadien-3-ol, 3,7-dimethyl-, 2-aminobenzoate, (3S)- [ACD/Index Name]
2-Aminobenzoate de (3S)-3,7-diméthyl-1,6-octadién-3-yle [French] [ACD/IUPAC Name]
230-472-5 [EINECS]
7149-26-0 [RN]
Linalyl anthranilate
UNII-FPW8XDE040

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

Density: 1.0±0.1 g/cm3
Boiling Point: 403.2±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 235.7±22.9 °C
Index of Refraction: 1.539
Molar Refractivity: 83.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.98
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 4571.17
ACD/KOC (pH 5.5): 14500.68
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4573.07
ACD/KOC (pH 7.4): 14506.70
Polar Surface Area: 52 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 266.7±3.0 cm3

Click to predict properties on the Chemicalize site


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