ChemSpider 2D Image | TERT-BUTYL 4-{[(5-CHLOROPYRIMIDIN-2-YL)AMINO]METHYL}PIPERIDINE-1-CARBOXYLATE | C15H23ClN4O2

TERT-BUTYL 4-{[(5-CHLOROPYRIMIDIN-2-YL)AMINO]METHYL}PIPERIDINE-1-CARBOXYLATE

  • Molecular FormulaC15H23ClN4O2
  • Average mass326.822 Da
  • Monoisotopic mass326.150940 Da
  • ChemSpider ID27457964

More details:

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

1261232-96-5 [RN]
1-Piperidinecarboxylic acid, 4-[[(5-chloro-2-pyrimidinyl)amino]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{[(5-chloro-2-pyrimidinyl)amino]methyl}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{[(5-chlor-2-pyrimidinyl)amino]methyl}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-{[(5-Chloro-2-pyrimidinyl)amino]méthyl}-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
TERT-BUTYL 4-{[(5-CHLOROPYRIMIDIN-2-YL)AMINO]METHYL}PIPERIDINE-1-CARBOXYLATE
4-[(5-Chloro-pyrimidin-2-ylamino)-methyl ]-piperidine-1-carboxylic acid tert-butyl ester
4-[(5-Chloropyrimidin-2-ylamino)methyl]piperidine-1-carboxylic acid tert-butyl ester
4-[(5-Chloro-pyrimidin-2-ylamino)-methyl]piperidine-1-carboxylic acid tert-butyl ester
4-[(5-Chloro-pyrimidin-2-ylamino)-methyl]-piperidine-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: 1.2±0.1 g/cm3
Boiling Point: 456.9±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 230.1±27.6 °C
Index of Refraction: 1.558
Molar Refractivity: 86.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 184.30
ACD/KOC (pH 5.5): 1456.25
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 184.36
ACD/KOC (pH 7.4): 1456.71
Polar Surface Area: 67 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 268.0±3.0 cm3

Click to predict properties on the Chemicalize site


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