ChemSpider 2D Image | (3aR,7aR)-3a-[3-(5-Chloro-3-pyridinyl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amine | C18H18ClN3O

(3aR,7aR)-3a-[3-(5-Chloro-3-pyridinyl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amine

  • Molecular FormulaC18H18ClN3O
  • Average mass327.808 Da
  • Monoisotopic mass327.113831 Da
  • ChemSpider ID35033764
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3aR,7aR)-3a-[3-(5-Chlor-3-pyridinyl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amin [German] [ACD/IUPAC Name]
(3aR,7aR)-3a-[3-(5-Chloro-3-pyridinyl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amine [ACD/IUPAC Name]
(3aR,7aR)-3a-[3-(5-Chloro-3-pyridinyl)phényl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amine [French] [ACD/IUPAC Name]
(3ar,7ar)-3a-[3-(5-Chloropyridin-3-Yl)phenyl]-3a,4,5,6,7,7a-Hexahydro-1,3-Benzoxazol-2-Amine
2-Benzoxazolamine, 3a-[3-(5-chloro-3-pyridinyl)phenyl]-3a,4,5,6,7,7a-hexahydro-, (3aR,7aR)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 509.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 261.9±32.9 °C
Index of Refraction: 1.688
Molar Refractivity: 89.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 15.59
ACD/KOC (pH 5.5): 127.10
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 145.77
ACD/KOC (pH 7.4): 1188.19
Polar Surface Area: 61 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 235.7±7.0 cm3

Click to predict properties on the Chemicalize site






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