ChemSpider 2D Image | (R)-3-((4-(Ethylamino)pyrimidin-2-yl)oxy)piperidine-1-carboxylic acid | C12H18N4O3

(R)-3-((4-(Ethylamino)pyrimidin-2-yl)oxy)piperidine-1-carboxylic acid

  • Molecular FormulaC12H18N4O3
  • Average mass266.296 Da
  • Monoisotopic mass266.137878 Da
  • ChemSpider ID28538897

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-{[4-(Ethylamino)-2-pyrimidinyl]oxy}-1-piperidincarbonsäure [German] [ACD/IUPAC Name]
(3R)-3-{[4-(Ethylamino)-2-pyrimidinyl]oxy}-1-piperidinecarboxylic acid [ACD/IUPAC Name]
(R)-3-((4-(Ethylamino)pyrimidin-2-yl)oxy)piperidine-1-carboxylic acid
1421020-83-8 [RN]
1-Piperidinecarboxylic acid, 3-[[4-(ethylamino)-2-pyrimidinyl]oxy]-, (3R)- [ACD/Index Name]
Acide (3R)-3-{[4-(éthylamino)-2-pyrimidinyl]oxy}-1-pipéridinecarboxylique [French] [ACD/IUPAC Name]
(3R)-3-{[4-(ETHYLAMINO)PYRIMIDIN-2-YL]OXY}PIPERIDINE-1-CARBOXYLIC ACID
(R)-3-(4-ethylamino-pyrimidin-2-yloxy)-piperidine-1-carboxylic acid
1417789-59-3 [RN]
MFCD22631700 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 504.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 259.0±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 69.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.65
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.15
ACD/KOC (pH 5.5): 33.34
ACD/LogD (pH 7.4): 0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.76
Polar Surface Area: 88 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 68.0±3.0 dyne/cm
Molar Volume: 201.7±3.0 cm3

Click to predict properties on the Chemicalize site


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