ChemSpider 2D Image | tert-Butyl 3-(2-(methylsulfonyl)pyrimidin-4-yl)piperidine-1-carboxylate | C15H23N3O4S

tert-Butyl 3-(2-(methylsulfonyl)pyrimidin-4-yl)piperidine-1-carboxylate

  • Molecular FormulaC15H23N3O4S
  • Average mass341.426 Da
  • Monoisotopic mass341.140930 Da
  • ChemSpider ID24747870

More details:

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

1,1-Dimethylethyl 3-[2-(methylsulfonyl)-4-pyrimidinyl]-1-piperidinecarboxylate
1187830-56-3 [RN]
1190927-73-1 [RN]
1-Piperidinecarboxylic acid, 3-[2-(methylsulfonyl)-4-pyrimidinyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-[2-(methylsulfonyl)-4-pyrimidinyl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[2-(methylsulfonyl)-4-pyrimidinyl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-[2-(Méthylsulfonyl)-4-pyrimidinyl]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 3-(2-(methylsulfonyl)pyrimidin-4-yl)piperidine-1-carboxylate
[1190927-73-1] [RN]
1-boc-3-(2-(methylsulfonyl)pyrimidin-4-yl)piperidine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 508.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 261.6±32.9 °C
Index of Refraction: 1.531
Molar Refractivity: 85.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.49
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.11
ACD/KOC (pH 5.5): 155.66
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.11
ACD/KOC (pH 7.4): 155.66
Polar Surface Area: 98 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 277.1±3.0 cm3

Click to predict properties on the Chemicalize site


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