ChemSpider 2D Image | Doxpicomine | C12H18N2O2

Doxpicomine

  • Molecular FormulaC12H18N2O2
  • Average mass222.283 Da
  • Monoisotopic mass222.136826 Da
  • ChemSpider ID32698751

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-1-(1,3-Dioxan-5-yl)-N,N-dimethyl-1-(3-pyridinyl)methanamin [German] [ACD/IUPAC Name]
(R)-1-(1,3-Dioxan-5-yl)-N,N-dimethyl-1-(3-pyridinyl)methanamine [ACD/IUPAC Name]
(R)-1-(1,3-Dioxan-5-yl)-N,N-diméthyl-1-(3-pyridinyl)méthanamine [French] [ACD/IUPAC Name]
3-Pyridinemethanamine, α-1,3-dioxan-5-yl-N,N-dimethyl-, (αR)- [ACD/Index Name]
62904-71-6 [RN]
Doxpicomine
Doxpicomin

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

4851 [DBID]
9821373UA1 [DBID]
UNII:9821373UA1 [DBID]
UNII-9821373UA1 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 319.1±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.1±3.0 kJ/mol
Flash Point: 146.8±23.7 °C
Index of Refraction: 1.528
Molar Refractivity: 61.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.15
ACD/LogD (pH 5.5): -1.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.49
Polar Surface Area: 35 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 201.1±3.0 cm3

Click to predict properties on the Chemicalize site


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