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

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

  • Molecular FormulaC16H26N4O2S
  • Average mass338.468 Da
  • Monoisotopic mass338.177643 Da
  • ChemSpider ID27458012

More details:

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

1261234-08-5 [RN]
TERT-BUTYL 2-({[2-(METHYLSULFANYL)PYRIMIDIN-4-YL]AMINO}METHYL)PIPERIDINE-1-CARBOXYLATE
1-Piperidinecarboxylic acid, 2-[[[2-(methylthio)-4-pyrimidinyl]amino]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-({[2-(Méthylsulfanyl)-4-pyrimidinyl]amino}méthyl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-[(2-methylsulfanyl-pyrimidin-4-ylamino)-methyl ]-piperidine-1-carboxylic acid tert-butyl ester
2-[(2-methylsulfanylpyrimidin-4-ylamino)methyl]piperidine-1-carboxylic acid tert-butyl ester
2-[(2-methylsulfanyl-pyrimidin-4-ylamino)-methyl]piperidine-1-carboxylic acid tert-butyl ester
2-[(2-Methylsulfanyl-pyrimidin-4-ylamino)-methyl]-piperidine-1-carboxylic acid tert-butyl ester
2-Methyl-2-propanyl 2-({[2-(methylsulfanyl)-4-pyrimidinyl]amino}methyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-({[2-(methylsulfanyl)-4-pyrimidinyl]amino}methyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
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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: 491.9±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.3±20.4 °C
Index of Refraction: 1.567
Molar Refractivity: 93.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 254.80
ACD/KOC (pH 5.5): 1752.99
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 299.42
ACD/KOC (pH 7.4): 2059.90
Polar Surface Area: 93 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 285.4±5.0 cm3

Click to predict properties on the Chemicalize site


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