ChemSpider 2D Image | TERT-BUTYL 3-{METHYL[2-(METHYLSULFANYL)PYRIMIDIN-4-YL]AMINO}PIPERIDINE-1-CARBOXYLATE | C16H26N4O2S

TERT-BUTYL 3-{METHYL[2-(METHYLSULFANYL)PYRIMIDIN-4-YL]AMINO}PIPERIDINE-1-CARBOXYLATE

  • Molecular FormulaC16H26N4O2S
  • Average mass338.468 Da
  • Monoisotopic mass338.177643 Da
  • ChemSpider ID27457868

More details:

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

1261231-15-5 [RN]
1-Piperidinecarboxylic acid, 3-[methyl[2-(methylthio)-4-pyrimidinyl]amino]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-{methyl[2-(methylsulfanyl)-4-pyrimidinyl]amino}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-{methyl[2-(methylsulfanyl)-4-pyrimidinyl]amino}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-{Méthyl[2-(méthylsulfanyl)-4-pyrimidinyl]amino}-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
TERT-BUTYL 3-{METHYL[2-(METHYLSULFANYL)PYRIMIDIN-4-YL]AMINO}PIPERIDINE-1-CARBOXYLATE
3-[methyl-(2-methylsulfanylpyrimidin-4-yl)amino]piperidine-1-carboxylic acid tert-butyl ester
3-[methyl-(2-methylsulfanyl-pyrimidin-4-yl)-amino]piperidine-1-carboxylic acid tert-butyl ester
3-[Methyl-(2-methylsulfanyl-pyrimidin-4-yl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
MFCD18380121
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 469.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 237.9±25.9 °C
Index of Refraction: 1.572
Molar Refractivity: 93.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 92.87
ACD/KOC (pH 5.5): 783.84
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 145.11
ACD/KOC (pH 7.4): 1224.79
Polar Surface Area: 84 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 284.2±5.0 cm3

Click to predict properties on the Chemicalize site


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