ChemSpider 2D Image | MFCD08276761 | C14H16N2O

MFCD08276761

  • Molecular FormulaC14H16N2O
  • Average mass228.290 Da
  • Monoisotopic mass228.126266 Da
  • ChemSpider ID21169697

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(+)-2-Cyano-6-phenyloxazolopiperidine
(3S,5R,8aS)-(+)-Hexahydro-3-phenyl-5H-oxazolo[3,2-a]pyridine-5-carbonitrile
(3S,5R,8aS)-3-phenyl-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine-5-carbonitrile
(3S,5R,8aS)-3-Phenylhexahydro-5H-[1,3]oxazolo[3,2-a]pyridin-5-carbonitril [German] [ACD/IUPAC Name]
(3S,5R,8aS)-3-Phenylhexahydro-5H-[1,3]oxazolo[3,2-a]pyridine-5-carbonitrile [ACD/IUPAC Name]
(3S,5R,8aS)-3-Phénylhexahydro-5H-[1,3]oxazolo[3,2-a]pyridine-5-carbonitrile [French] [ACD/IUPAC Name]
(3S,5R,8aS)-Hexahydro-3-phenyl-5H-oxazolo[3,2-a]pyridine-5-carbonitrile
[3S-(3α,5β,8aβ)]-Hexahydro-3-phenyl-5H-oxazolo[3,2-a]pyridine-5-carbonitrile
106565-71-3 [RN]
5H-Oxazolo[3,2-a]pyridine-5-carbonitrile, hexahydro-3-phenyl-, (3S,5R,8aS)- [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

642002_ALDRICH [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 392.8±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.3±3.0 kJ/mol
Flash Point: 191.4±26.5 °C
Index of Refraction: 1.594
Molar Refractivity: 65.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.87
ACD/KOC (pH 5.5): 216.40
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 12.94
ACD/KOC (pH 7.4): 217.56
Polar Surface Area: 36 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 192.3±5.0 cm3

Click to predict properties on the Chemicalize site


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