ChemSpider 2D Image | N-[(3-Chloro-2-thienyl)methyl]-1-(2-pyrimidinyl)-3-piperidinamine | C14H17ClN4S

N-[(3-Chloro-2-thienyl)methyl]-1-(2-pyrimidinyl)-3-piperidinamine

  • Molecular FormulaC14H17ClN4S
  • Average mass308.830 Da
  • Monoisotopic mass308.086243 Da
  • ChemSpider ID60533350

More details:

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

3-Piperidinamine, N-[(3-chloro-2-thienyl)methyl]-1-(2-pyrimidinyl)- [ACD/Index Name]
N-[(3-Chlor-2-thienyl)methyl]-1-(2-pyrimidinyl)-3-piperidinamin [German] [ACD/IUPAC Name]
N-[(3-Chloro-2-thienyl)methyl]-1-(2-pyrimidinyl)-3-piperidinamine [ACD/IUPAC Name]
N-[(3-Chloro-2-thiényl)méthyl]-1-(2-pyrimidinyl)-3-pipéridinamine [French] [ACD/IUPAC Name]
N-[(3-CHLOROTHIOPHEN-2-YL)METHYL]-1-(PYRIMIDIN-2-YL)PIPERIDIN-3-AMINE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 477.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 242.3±31.5 °C
Index of Refraction: 1.639
Molar Refractivity: 83.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 8.59
ACD/KOC (pH 5.5): 68.25
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 150.64
ACD/KOC (pH 7.4): 1196.35
Polar Surface Area: 69 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 231.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement