ChemSpider 2D Image | tert-butyl 2-{[(4,6-dimethylpyrimidin-2-yl)amino]methyl}pyrrolidine-1-carboxylate | C16H26N4O2

tert-butyl 2-{[(4,6-dimethylpyrimidin-2-yl)amino]methyl}pyrrolidine-1-carboxylate

  • Molecular FormulaC16H26N4O2
  • Average mass306.403 Da
  • Monoisotopic mass306.205566 Da
  • ChemSpider ID27457906

More details:

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

1261230-00-5 [RN]
1-Pyrrolidinecarboxylic acid, 2-[[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-{[(4,6-Diméthyl-2-pyrimidinyl)amino]méthyl}-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-{[(4,6-dimethyl-2-pyrimidinyl)amino]methyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-{[(4,6-dimethyl-2-pyrimidinyl)amino]methyl}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
tert-butyl 2-{[(4,6-dimethylpyrimidin-2-yl)amino]methyl}pyrrolidine-1-carboxylate
2-[(4,6-Dimethyl-pyrimidin-2-ylamino)-methyl ]-pyrrolidine-1-carboxylicacid tert-butyl ester
2-[(4,6-Dimethyl-pyrimidin-2-ylamino)-methyl]-pyrrolidine-1-carboxylic
2-[(4,6-Dimethylpyrimidin-2-ylamino)methyl]pyrrolidine-1-carboxylic acid tert-butyl ester
2-[(4,6-Dimethylpyrimidin-2-ylamino)-methyl]pyrrolidine-1-carboxylic acid tert-butyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 446.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 223.7±26.5 °C
Index of Refraction: 1.552
Molar Refractivity: 86.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 95.93
ACD/KOC (pH 5.5): 833.96
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 131.12
ACD/KOC (pH 7.4): 1139.89
Polar Surface Area: 67 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 270.9±3.0 cm3

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