ChemSpider 2D Image | TERT-BUTYL 2-{[(PYRIMIDIN-2-YL)AMINO]METHYL}PYRROLIDINE-1-CARBOXYLATE | C14H22N4O2

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

  • Molecular FormulaC14H22N4O2
  • Average mass278.350 Da
  • Monoisotopic mass278.174286 Da
  • ChemSpider ID27458137

More details:

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

1261230-44-7 [RN]
1-Pyrrolidinecarboxylic acid, 2-[(2-pyrimidinylamino)methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-[(2-Pyrimidinylamino)méthyl]-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-[(2-pyrimidinylamino)methyl]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-[(2-pyrimidinylamino)methyl]-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
TERT-BUTYL 2-{[(PYRIMIDIN-2-YL)AMINO]METHYL}PYRROLIDINE-1-CARBOXYLATE
1-Boc-2-(Pyrimidin-2-ylaminomethyl)pyrrolidine
2-(Pyrimidin-2-ylaminomethyl)pyrrolidine-1-carboxylic acid tert-butyl ester
2-(PYRIMIDIN-2-YLAMINOMETHYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-(Pyrimidin-2-ylaminomethyl)-pyrrolidine-1-carboxylic acid tert-butylester
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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: 415.5±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 205.1±26.5 °C
Index of Refraction: 1.558
Molar Refractivity: 76.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 49.01
ACD/KOC (pH 5.5): 561.85
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 49.76
ACD/KOC (pH 7.4): 570.41
Polar Surface Area: 67 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 238.3±3.0 cm3

Click to predict properties on the Chemicalize site


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