ChemSpider 2D Image | 1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carbaldehyde | C12H13N3OS

1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carbaldehyde

  • Molecular FormulaC12H13N3OS
  • Average mass247.316 Da
  • Monoisotopic mass247.077927 Da
  • ChemSpider ID21474479

More details:






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

1-(Thieno[3,2-d]pyrimidin-4-yl)-4-piperidincarbaldehyd [German] [ACD/IUPAC Name]
1-(Thieno[3,2-d]pyrimidin-4-yl)-4-piperidinecarbaldehyde [ACD/IUPAC Name]
1-(Thiéno[3,2-d]pyrimidin-4-yl)-4-pipéridinecarbaldéhyde [French] [ACD/IUPAC Name]
1-(Thieno[3,2-d]pyrimidin-4-yl)piperidine-4-carbaldehyde
1-Thieno[3,2-d]pyrimidin-4-yl-4-piperidinecarboxaldehyde
1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carbaldehyde
4-Piperidinecarboxaldehyde, 1-(thieno[3,2-d]pyrimidin-4-yl)- [ACD/Index Name]
916766-91-1 [RN]
MFCD09817540 [MDL number]
1-(Thieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxaldehyde
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 432.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 215.5±28.7 °C
Index of Refraction: 1.715
Molar Refractivity: 70.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 14.45
ACD/KOC (pH 5.5): 203.21
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 24.04
ACD/KOC (pH 7.4): 338.09
Polar Surface Area: 74 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 77.2±3.0 dyne/cm
Molar Volume: 178.3±3.0 cm3

Click to predict properties on the Chemicalize site






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