Found 2 results

Search term: DXQVPXCZIRQITG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3s,5s,7s)-Adamantan-1-ylacetonitrile | C12H17N

(3s,5s,7s)-Adamantan-1-ylacetonitrile

  • Molecular FormulaC12H17N
  • Average mass175.270 Da
  • Monoisotopic mass175.136093 Da
  • ChemSpider ID29367717

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3s,5s,7s)-Adamantan-1-ylacetonitril [German] [ACD/IUPAC Name]
(3s,5s,7s)-Adamantan-1-ylacetonitrile [ACD/IUPAC Name]
(3s,5s,7s)-Adamantan-1-ylacétonitrile [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-acetonitrile [ACD/Index Name]
[16269-13-9] [RN]
16269-13-9 [RN]
1-ADAMANTANEACETONITRILE
1-Adamantylacetonitrile
97%
MFCD00194034 [MDL number]
More...

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

Density: 1.1±0.1 g/cm3
Boiling Point: 295.0±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.5±3.0 kJ/mol
Flash Point: 137.4±3.8 °C
Index of Refraction: 1.534
Molar Refractivity: 51.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 160.00
ACD/KOC (pH 5.5): 1316.18
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 160.00
ACD/KOC (pH 7.4): 1316.18
Polar Surface Area: 24 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 165.2±3.0 cm3

Click to predict properties on the Chemicalize site


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